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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Microstructure Evolution and Failure Analysis of an Aluminum–Copper Cathode Conductive Head Produced by Explosive Welding

In this paper, microstructure evolution and failure analysis of the aluminum-copper interface of cathode conductive heads during their use were studied. The interface morphologies, compositions, conductivity and mechanical properties were investigated and analyzed. Obvious corrosion was found on the surface of the contact interface, which was more prevalent on an Al matrix. The crack increased sharply in the local metallurgical bonding areas on the interface, with the compound volume having no significant change. The phase transformation occurred on the interface during use, which was investigated using the elemental composition and x-ray diffraction pattern. The microhardness near the interface increased accordingly. An obvious electrical conductivity decrease appeared on the Al/Cu interface of the cathode conductive head after use over a specific time interval. Therefore, the deterioration of the microstructures and corrosion are the primary factors that affect the electrical conductivity and effective bonding, which will lead to eventual failure.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Influence of Bias Voltage and CH{sub 4}/N{sub 2} Gas Ratio on the Structure and Mechanical Properties of TiCN Coatings Deposited by Cathodic Arc Deposition Method

This article presents a study of the influence of the bias voltage and CH{sub 4}/N{sub 2} gas ratio on the structure and mechanical properties of TiCN coatings. The coatings are deposited by cathodic arc deposition technology from Ti cathodes under an atmosphere of a mixture of CH{sub 4} and N{sub 2} gasses. XRD analysis shows that an increase in the methane flow changes the preferential orientation of the coating from (111) to (200) and results in a refinement of the structure (grain size reduction from 23 to 7 nm). SEM analysis shows that the coatings are stoichiometric. It was demonstrated that the bias voltage has an influence on the grain size, hardness and elasticity module. The highest hardness value of 52.5 GPa was measured at the coatings lacking a clear preferential orientation. The adhesion of the coatings showed a critical load in the range of 29-64 N.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structure, Morphology, and Mechanical Properties of AlCrN Coatings Deposited by Cathodic Arc Evaporation

AlCrN coatings were deposited on steel substrates (HS6-5-2) using cathodic arc evaporation. The effect of nitrogen pressure on the properties of CrAlN coatings formed from Al{sub 80}Cr{sub 20} cathode, such as chemical and phase composition of the coatings, surface morphology, deposition rate, hardness and adhesion to the substrate, and friction and wear were investigated. The coating deposited at nitrogen pressure of 3 Pa shows the highest deposition rate. The roughness parameter Ra of the coating surface decreases with increasing nitrogen pressure during its formation. The test results showed that the AlCrN coatings deposited under nitrogen pressure in the range from 1 to 5 Pa show similar hardness for all the coatings, which is around 17 GPa. The increase in the negative bias voltage of the substrate during the formation of the coating deteriorates its adhesion to the substrate, although the wear rate is rather good, about 1.4 × 10{sup −7} mm{sup 3}/Nm. The coatings deposited at nitrogen pressure of 3-4 Pa are characterized by the highest critical load, 95 N. Despite worse adhesion, these coatings are characterized by high resistance to wear, the wear rate is about 1.4 × 10{sup −7} mm{sup 3}/Nm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Atmospheric-pressure solution-cathode glow discharge: A versatile ion source for atomic and molecular mass spectrometry

We report an atmospheric-pressure solution-cathode glow discharge (SCGD) has been evaluated as an ion source for atomic, molecular, and ambient desorption/ionization mass spectrometry. The SCGD consists of a direct-current plasma, supported in the ambient air in the absence of gas flows, and sustained upon the surface of a flowing liquid cathode. Analytes introduced in the flowing liquid, as an ambient gas, or as a solid held near the plasma are vaporized and ionized by interactions within or near the discharge. Introduction of acidic solutions containing metal salts produced bare elemental ions as well as H 2 O, OH - and NO 3 - adducts. Detection limits for these elemental species ranged from 0.1 to 4 ppb, working curves spanned more than 4 orders of linear dynamic range, and precision varied between 5 and 16% relative standard deviation. Small organic molecules were also efficiently ionized from solution, and both the intact molecular ion and fragments were observed in the resulting SCGD mass spectra. Fragmentation of molecular species was found to be tunable; high discharge currents led to harder ionization, while low discharge currents produced stronger molecular-ion signals. Ambient gases and solids, desorbed by the plasma from a glass probe, were also readily ionized by the SCGD. Indeed, strong analyte signals were obtained from solid samples placed at least 2 cm from the plasma. These findings indicate that the SCGD might be useful also for ambient desorption/ionization mass spectrometry. In conclusion, combined with earlier results that showed the SCGD is useful for ionization of labile biomolecules, the results here indicate that the SCGD is a highly versatile ion source capable of providing both elemental and molecular mass-spectral information.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Formation and effect of orientation domains in layered oxide cathodes of lithium-ion batteries

Here, we show that in layered oxides that are employed as cathodes in lithium-ion batteries, the cation layers can order on different {111} NaCl planes within a single particle, which makes the lithium layer discontinuous across a particle. The findings challenge previous assertions that lithium undergoes 2-D diffusion in layered oxides and the data provide new insights into the decrease in rate capabilities for some layered oxides. Therefore, it is critically important to understand how these discontinuities form and how the loss of 2-D diffusion impacts the overall performance of the layered oxide cathode materials. Employing X-ray diffraction (XRD) and aberration-corrected scanning transmission electron microscopy (STEM), we find that as the material transitions from a disordered to an ordered state, it forms four orientation variants corresponding to the four {111} NaCl planes. This transition is not intrinsic to all layered oxides and appears to be more strongly affected by nickel. Furthermore, with energy dispersive spectroscopy (EDS), we show that there is an increase in the nickel concentration at the interface between each orientation variant. Lastly, this reduces the rate of lithium diffusion, negatively affects the rate capability, and could be contributing to the overall capacity fade.

25 ENERGY STORAGE↗
DOE OSTI2024

A highly oxygen reduction reaction active and CO 2 durable high-entropy cathode for solid oxide fuel cells

One big obstacle for the oxygen reduction reaction (ORR) electrode in solid oxide fuel cells (SOFCs) is the poor reaction activity and fast degradations caused by CO 2 poisoning. Here, in this study, we report our design of an active A-site Ca-rich high-entropy Pr 0.1875 Ba 0.1875 Sr 0.1875 La 0.1875 Ca 0.25 CoO 3-δ (PBSLC 25 C) electrode, guided by the O p-band theory. Here, when applied as a cathode in solid oxide fuel cells (SOFCs), it demonstrates high ORR activity and excellent CO 2 tolerance under realistic operating conditions. Ni-YSZ-based anode-supported cells with PBSLC 25 C cathodes demonstrate excellent peak power densities of 1.14 W cm -2 , 1.04 W cm -2 , and 0.77 W cm -2 in the air with 1%, 5%, and 10% CO 2 , respectively, at 750 °C. The engineered high-entropy PBSLC 25 C effectively diminishes the CO 2 poisoning effect and maintains active surfaces for fast oxygen exchange, as confirmed by the cell durability test in air containing CO 2 (5 and 10 vol%), Raman spectroscopy, and density functional theory calculations.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Experimental and computational investigations on the SO 2 poisoning of (La 0.8 Sr 0.2 ) 0.95 MnO 3 cathode materials

To study the formation of detrimental phases under the sulfur gas impurity to the long-term degradation in the LSM cathode material, the classic cathode material, (La 0.8 Sr 0.2 ) 0.95 MnO 3 (LSM), was prepared, sintered, and annealed at 800, 900, and 1000°C in the sulfur-containing atmospheres, respectively. Through X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM), and Transmission electron microscopy (TEM) techniques, as well as the CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) methodology, the secondary phases, especially the detrimental ones, under different conditions were predicted and experimentally verified correspondingly. Furthermore, sulfur poisoning results indicate that the accelerated tests might have degradation mechanisms different from actual operation conditions. More importantly, comprehensive comparisons among various impurity-containing conditions were also made to recommend better operation parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nanoscale LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode materials for lithium ion batteries via a polymer-assisted chemical solution method

A novel and facile polymer-assisted chemical solution method is successfully developed for the synthesis of LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM) with unique morphology and nanoparticle nature as cathodes for lithium-ion batteries. At calcination temperature up to 800°C and 900°C, NCM with hexagonal crystal structure of layered α-NaFeO 2 ( R 3 ¯ m spacing group) is formed and a lower degree of Ni/Li cation mixing for sample heated at 900°C is determined by XRD Rietveld refinement. SEM and TEM images reveal the uniform size distribution of nanoparticles. HRTEM confirms the single crystalline nature of particles with layered structure. XPS verifies the oxidation state of Co 3+ , Mn 4+ , Ni 2+ and Ni 3+ . As compared with the sample prepared at 800°C, the sample heated at 900°C exhibits a higher initial discharge specific capacity of 189 mAh g -1 being charged to 4.5 V at a current rate of 0.05 C, and better cyclability at 4.3 V cutoff voltage at a current density of 1 C. This method has demonstrated easy tuning compositions and particle sizes of cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2025

Selectively extracting lithium from single and mixed cathode materials

With the burgeoning reliance on lithium-ion batteries for sustainable energy solutions and electric transportation, the environmental and resource management associated with battery disposal are increasingly critical. Addressing these challenges necessitates innovative recycling techniques that recover valuable battery components, particularly lithium. This research introduces a universal, eco-friendly approach tailored for the efficient selective extraction of lithium from both single and mixed cathode materials, achieving impressive selective leaching efficiencies of lithium (99.51 % for LFP, 90 % for NMC, and 97.24 % for mixed cathode). Surprisingly, leaching efficiency of lithium from NMC can be significantly improved by introducing LFP since LFP can remove the dense transition-metal salts on the surface of NMC. The extracted lithium is recovered as lithium carbonate with battery-grade purity. This study also highlights the reuse of formic acid and the adoption of oxygen as an oxidizing agent to prevent wastewater production. Therefore, this method provides a robust foundation for sustainable lithium battery recycling.

economically and environmentally feasible↗
DOE OSTI2019

Vanadium Oxide Pillared by Interlayer Mg 2+ Ions and Water as Ultralong-Life Cathodes for Magnesium-Ion Batteries

Magnesium-ion batteries (MIBs) show great potential for large-scale energy storage because of the advantages of low cost and safety, but their application is severely hindered by the difficulty in finding desirable electrode materials. In this work, we develop a bilayer-structured vanadium oxide (Mg 0.3 V 2 O 5 ·1.1H 2 O) with synergistic effect of Mg 2+ ions and lattice water as the cathode material for MIBs. The pre-intercalated Mg 2+ ions provide high electronic conductivity and excellent structural stability. The lattice water enables fast Mg 2+ ions mobility because of its charge shielding effect. As a result, the Mg 0.3 V 2 O 5 ·1.1H 2 O exhibits excellent rate performance and an unprecedented cycling life with capacity retention of 80.0% after 10,000 cycles. Furthermore, the Mg 0.3 V 2 O 5 ·1.1H 2 O exhibits good electrochemical performance in full MIBs. This scalable Mg 2+ host material is an enticing candidate as a cathode for MIBs, and its high performance is expected to meet the requirements for large-scale storage applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Aqueous solution-based synthesis approach for carbon-disordered rocksalt composite cathode development and its limitations

Disordered rocksalt cathodes exhibit high specific capacities and high energy density; however, their low electronic conductivity poses a great challenge. Herein, we explored an aqueous-solution-based synthesis route that involves controlling the surface charges of Li 1.2 Mn 0.6 Ti 0.2 O 1.8 F 0.2 (LMTOF) to be anchored by a few-layer reduced graphene oxide (rGO) for the first time. The uniform rGO wrapping on the surface of the LMTOF particles is achieved by electrostatic attraction between the negatively charged rGO and positively charged LMTOF particles. Although the initial specific capacity of rGO-LMTOF composite increased by 58 % compared to the pristine LMTOF, the composite experienced a severe capacity fade over cycling. The synthesis process in an aqueous medium resulted in Li + /H + exchange and TM dissolution as evidenced from inductively coupled plasmon analysis and X-ray diffraction analysis. Therefore, this work suggests the search for alternative media or conditions for the synthesis of carbon-disordered rock salt cathode composite.

25 ENERGY STORAGE↗
DOE OSTI2018

An ant-nest-like cathode substrate for lithium-sulfur batteries with practical cell fabrication parameters

We report that electrochemical performances of lithium-sulfur batteries have received much progress in recent years. However, their practical deployment encounters challenges with respect to optimizing the cell-fabrication parameters (e.g., amounts of the active material and electrolyte). We present here an “ant-nest-like” cathode substrate with unique architecture to synchronously attain high electrochemical performance and necessary cell-fabrication parameters. The cells with a high sulfur loading (11.5 mg cm -2 ), a high sulfur content (75 wt.%), and a low electrolyte/sulfur ratio (9 μL mg -1 ) display a high areal capacity and energy density of, respectively, 7 mA h cm -2 and 14 mW h cm -2 with a capacity retention of 70% after 150 cycles. Moreover, the cells exhibit a low self-discharge behavior with a low self-discharge constant of 0.0013 per day and a long rest period of one month. Lastly, these dynamic and static electrochemical stabilities are attributed to the ant-nest-like structure and low surface area of the cathode substrate that allows, respectively, the accommodation and encapsulation of a high amount of active material and reduces the consumption of electrolyte.

25 ENERGY STORAGE↗
DOE OSTI2019

Cathode electrolyte interface enabling stable Li–S batteries

A high-concentration, ether-based electrolyte with LiTFSI and LiNO 3 as the co-salts is proposed, which enables stable cycling of a lithium metal battery using sulfurized polyacrylonitrile (SPAN) as the cathode material. In addition to providing excellent protection for lithium metal anodes by forming the solid electrolyte interface (SEI), the electrolyte promotes the formation of a crystalline cathode electrolyte interface (CEI) on the SPAN surface composed of LiF and LiNO 2 . The CEI effectively prevents the formation of soluble polysulfide species and enables stable cycling of the Li-SPAN battery. The benefit of having effective CEI and SEI layers is also demonstrated in Li-SPAN cells with limited lithium supply, which exhibit lithium cycling efficiency values consistent with or exceeding Li/Cu test results, reaching 99.5%. In conclusion, the development of electrolyte chemistries to enable the formation of effective CEI layers is a promising approach to long-life lithium metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

Sodium storage property and mechanism of NaCr 1/4 Fe 1/4 Ni 1/4 Ti 1/4 O 2 cathode at various cut-off voltages

Room-temperature sodium-ion batteries (SIBs) have attracted extensive interest in large-scale energy storage applications for renewable energy and smart grid, owing to abundant sodium resources and low cost. O3-layered sodium transition metal oxides (i.e., NaMO 2 , M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, etc.) are considered as a promising class of cathode materials for SIBs due to their high capacity and ease of synthesis. Here, a quaternary layered material O3–NaCr 1/4 Fe 1/4 Ni 1/4 Ti 1/4 O 2 (O3-NCFNT) is successfully synthesized and investigated as a new cathode material for SIBs. Within the voltage range of 1.5–4.1 V, O3-NCFNT delivers an ultrahigh charge capacity of 213 mA h g –1 but a limited discharge capacity of 107 mA h g –1 in the initial cycle. Ex situ X-ray diffraction and X-ray absorption spectroscopy results reveal that an irreversible phase transformation as well as the irreversible redox of Cr 3+ /Cr 6+ within the voltage range of 1.5–4.1 V should be responsible for the capacity decay in the initial cycle. At the same time, O3-NCFNT exhibits the initial charge/discharge capacities of 135.4 and 129.2 mA h g –1 with a high coulombic efficiency of 95.4% as well as good cyclic performance within the voltage range of 1.5–3.4 V at current rate of 0.1C. Especially, O3-NCFNT shows a capacity retention of 77.1% after 300 cycles at a high rate of 1C, indicating that the structural origins of capacity decay caused by excessive sodium extraction are confirmed by XRD and XAS measurements to unlock the potential of this material for sodium-ion battery application.

25 ENERGY STORAGE↗
DOE OSTI2020

Boosting energy efficiency of Li-rich layered oxide cathodes by tuning oxygen redox kinetics and reversibility

In developing electrode materials for next-generation Li-ion batteries, significant efforts have been given to the energy, power density and cycling stability, with much less (if any) attention paid to the energy efficiency – arguably, the most important practical measure for large-scale applications. This is particularly true for the oxygen-redox active electrodes, such as Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 , the notorious energy-inefficient cathode that has an extremely high capacity but comes with large voltage hysteresis and voltage decay. Herein, we report the rational design of an energy-efficient Li-rich layered cathode along with high energy, power density and cycling stability enabled by tuning oxygen redox activity. Specifically, the target material Li 1.12 Ni 0.22 Co 0.13 Mn 0.52 O 2 exhibits an ultrahigh energy efficiency at 1 C (90.6%), high capacity (> 200 mAh g -1 ) with 98.9% retention and less than 150 mV decay at the extended 200 cycles. Overall, through direct comparison between the material and Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 , we show that the compositional change, although slightly, greatly improves the oxygen redox kinetics and reversibility, thereby boosts energy efficiency. The findings offer a strategy to narrow the gap between scientific interest and practical application of oxygen-redox chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Constructing O2/O3 homogeneous hybrid stabilizes Li-rich layered cathodes

With the advantages of high energy density and low manufacture cost, lithium-rich layered oxides (LLOs), typically with a layered O3-type structure, are regarded as promising cathodes for lithium-ion batteries (LIBs), but their broad usages are hindered by severe voltage decay over cycling. Although recent progress in O2-type LLOs has aroused interest for their less voltage decay, the critical barrier of unsatisfactory capacity retention has not been overcome yet. In this work, to tackle these handicaps, we design a new type of LLO (O2/O3-type LLO) with a homogeneous hybrid structure, where the O2 and O3 lattice stacking sequences are arranged alternatively. Benefitting from this novel O2/O3 hybrid structure, the designed material shows greatly improved voltage and capacity stability than that of pure O2- and O3-type LLOs. Revealed by in-situ synchrotron X-ray diffraction and operando differential electrochemical mass spectra, the O2/O3-hybrid LLO cathode shows a more reversible structural evolution, smaller volume change and suppressed oxygen loss during the electrochemical processes. Our approach has initiated a new way to reduce the capacity and voltage decay of LLOs, which endows great promise to the development of high-energy-density LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Cross-scale modeling and experimental integration for advancing cathode electrolyte interphase studies in high energy density lithium-ion batteries

Electrochemical interfaces are critical to the performance and durability of lithium-ion batteries (LIBs). The solid electrode-electrolyte interphase (SEI and CEI) structures that form during cycling can passivate reactive surfaces, ensuring safe operation, but also may contribute to performance degradation. Understanding the microscopic factors influencing interphase formation, growth, and evolution is essential for balanced battery design. While significant research has focused on the anode-electrolyte interphase (SEI), the cathode-electrolyte interphase (CEI) remains less explored, despite its importance in high-voltage and advanced battery technologies. Challenges in conducting in-situ or operando experiments arise from the occluded nature of these interfaces and the long timescales involved, often leading to biased interpretations. A validated multi-scale, multi-physics modeling approach, integrated with advanced characterization techniques, can effectively elucidate the intrinsic stability of electrolyte and cathode surfaces, the impact of chemical heterogeneity, and the role of microstructural features on CEI performance. In conclusion, this article reviews current modeling and simulation strategies for studying CEI in advanced LIBs and highlights opportunities for future methodological advancements and experimental integration.

Cathode-electrolyte interphase↗
DOE OSTI2026

Cobalt-free and high-rate stable 5V lithium nickel manganese oxide spinel cathodes enabled via surface oxygen vacancies

Spinel LiNi 0.5 Mn 1.5 O 4 offers both the high-rate, low-cost and safety advantages of LiFePO 4 and the high energy density of LiNiₓMnᵧCo₁₋ₓ₋ᵧO₂ and LiNiₓCoᵧAlzO₂ cathodes. However, the large operating voltage of these materials induces electrolyte oxidation, which degrades the interface and drives Mn dissolution. These reactions are further exacerbated at high rates due to temperature rise. In this study, we discover that ammoniacal treatment followed by annealing introduces a high density of oxygen vacancies in the “near-surface region” of LiNi 0.5 Mn 1.5 O 4 particles. These vacancies release electrons changing the oxidation state of Mn and suppressing its tendency to oxidize the electrolyte. Further, these vacancies enhance the electrode’s electronic conductivity (by ∼3-fold) and Li + diffusivity (by ∼2-fold) greatly improving charge transport, especially when operated at high rates. This results in an across-the-board improvement in self-discharge, specific capacity, energy density, rate capability, coulombic efficiency and cycling stability. When cycled at ∼200 mA g −1 , the capacity fade averaged over 3000 cycles for the surface vacancy-enriched material is ∼0.0167% per cycle compared to an order of magnitude higher fade rate for the baseline material. In conclusion, these findings reveal the potential of targeted surface oxygen vacancy doping to develop cobalt-free and high energy density cathodes that tolerate fast charging and deliver improved cycle life.

Cobalt-free cathodes↗