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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Li 3 BN 2 as a Transition Metal Free, High Capacity Cathode for Li-ion Batteries

Li 3 BN 2 is investigated for the first time as a transition metal free, high capacity cathode material for Li-ion batteries. It is shown that α-Li 3 BN 2 can exhibit a specific capacity of 890 mA h g -1 with the charge storage mechanism associated with the valence state change of N ions in the BN 2 anion. The particular capacity demonstrated in this study is the highest one ever reported in literature for an intercalation-type cathode material. Moreover, using the valence state change of N ions as a charge storage mechanism opens the door for designing additional high performance, transition metal free electrodes in the future.

25 ENERGY STORAGE↗
DOE OSTI2019

Defect Control in the Synthesis of 2 D MoS 2 Nanosheets: Polysulfide Trapping in Composite Sulfur Cathodes for Li–S Batteries

One of the inherent challenges with Li–S batteries is polysulfide dissolution, in which soluble polysulfide species can contribute to the active material loss from the cathode and undergo shuttling reactions inhibiting the ability to effectively charge the battery. Prior theoretical studies have proposed the possible benefit of defective 2 D MoS 2 materials as polysulfide trapping agents. Herein the synthesis and thorough characterization of hydrothermally prepared MoS 2 nanosheets that vary in layer number, morphology, lateral size, and defect content are reported. Here, the materials were incorporated into composite sulfur–based cathodes and studied in Li–S batteries with environmentally benign ether–based electrolytes. Through directed synthesis of the MoS 2 additive, the relationship between synthetically induced defects in 2 D MoS 2 materials and resultant electrochemistry was elucidated and described.

25 ENERGY STORAGE↗
DOE OSTI2023

Electron energy levels determining cathode electrolyte interphase formation

Cathode electrolyte interphase (CEI) has a significant impact on the performance of rechargeable batteries and is gaining increasing attention. Understanding the fundamental and detailed CEI formation mechanism is of critical importance for battery chemistry. Herein, a diverse of characterization tools are utilized to comprehensively analyze the composition of the CEI layer as well as its formation mechanism by LiCoO 2 (LCO) cathode. We reveal that CEI is mainly composed of the reduction products of electrolyte and it only parasitizes the degraded LCO surface which has transformed into a disordered spinel structure due to oxygen loss and lithium depletion. Based on the energy diagram and the chemical potential analysis, the CEI formation process has been well explained, and the proposed CEI formation mechanism is further experimentally validated. This work highlights that the CEI formation process is nearly identical to that of the anode-electrolyte-interphase, both of which are generated due to the electrolyte directly in contact with the low chemical potential electrode material. This work can deepen and refresh our understanding of CEI.

LiCoO2↗
DOE OSTI2024

Rational optimization of substituted α–MnO 2 cathode for aqueous zinc–ion battery

Density functional theory (DFT) is utilized to explore the effects of increasing concentrations of vanadium (V) and chromium (Cr) substitution on the discharge of α-MnO 2 cathode in hydrated zinc-ion batteries (ZIBs). During H + -intercalation and Zn 2+ -intercalation, Cr-substitution proves to be more effective than V-substitution in promoting discharge behaviors. Transitioning from Mn 0.875 Cr 0.125 O 2 , Mn 0.75 Cr 0.25 O 2 to Mn 0.625 Cr 0.375 O 2 is found to consistently enhance the discharge voltage, along with improved tunnel structure retention and volume expansion suppression. In comparison, the promoting effect of increasing V-substitution is relatively small at initial discharge stages and leads to degradation at later stages, primarily due to an increased concentration of unstable Mn 2+ ion. The superior effect of Cr-substitution is attributed to the unique atomic and electronic structures of substituted Cr 4+ and reduced Cr 3+ ions during discharge. These ions serve as active electron acceptors to limit the formation of Mn 3+ and Mn 2+ ions, and as anchors to stabilize the α-MnO 2 framework and intercalated H + /Zn 2+ ions, respectively. Finally, our study highlights fine-tuning through substitution to enhance the performance of α-MnO 2 -based cathode materials in ZIBs.

25 ENERGY STORAGE↗
DOE OSTI2022

Oxygen Vacancy Introduction to Increase the Capacity and Voltage Retention in Li‐Excess Cathode Materials

Li‐rich rocksalt oxides are promising cathode materials for lithium‐ion batteries due to their large capacity and energy density, and their ability to use earth‐abundant elements. The excess Li in the rocksalt, needed to achieve good Li transport, reduces the theoretical transition metal redox capacity and introduces a labile oxygen state, both of which lead to increased oxygen oxidation and concomitant capacity loss with cycling. Herein, it is demonstrated that substituting the labile oxygen in Li‐rich cation‐disordered rocksalt materials with a vacancy is an effective strategy to inhibit oxygen oxidation. It is found that the oxygen vacancy in cation‐disordered lithium manganese oxide favors high Li coordination thereby reducing the concentration of unhybridized oxygen states, while increasing the theoretical Mn capacity. It is shown that in the vacancy‐containing compound, synthesized by ball milling, the Mn valence is lowered to less than +3, providing access to more than 300 mAh g −1 capacity from the Mn 2+ /Mn 4+ redox reservoir. The increased transition metal redox and decreased O oxidation are found to improve the capacity and voltage retention, indicating that oxygen vacancy creation to remove the most vulnerable oxygen ions and reduce transition metal valence provides a new opportunity for the design of high‐performance Li‐rich rocksalt cathodes.

25 ENERGY STORAGE↗
DOE OSTI2023

A Self‐Healing Chemistry‐Enabled Organic Cathode for Sustainable and Stable Sodium‐Ion Batteries

Sodium‐on batteries (SIBs) are promising alternatives to lithium‐ion batteries (LIBs) because of the low cost, abundance, and high sustainability of sodium resources. Analogous to LIBs, the high‐capacity electrodes in SIBs always suffer from rapid capacity decay upon long‐term cycling due to the particle pulverization induced by a large volume change. Circumventing particle pulverization plays a critical role in developing high‐energy and long‐life SIBs. Herein, tetrahydroxy‐1,4‐benzoquinone disodium salt (TBDS) that can self‐heal the cracks by hydrogen bonding between hydroxyl group and carbonyl group is employed as a cathode for sustainable and stable SIBs. The self‐healing TBDS exhibits long cycle life of 1000 cycles with a high rate capability up to 2 A g −1 due to the fast Na‐ion diffusion reaction in the TBDS cathode. The intermolecular hydrogen bonding has been comprehensively characterized to understand the self‐healing mechanism. The hydrogen bonding‐enabled self‐healing organic materials are promising for developing high‐energy and long‐cycle‐life SIBs.

25 ENERGY STORAGE↗
DOE OSTI2017

Formation and Transportation of an Intense Sub-Millisecond Electron Beam in a Longitudinal Magnetic Field in the Source with a Mesh Plasma Cathode

The limiting parameters of an intense sub-millisecond electron beam generated in the source with a plasma cathode on the basis of a low-pressure multi-arc discharge with mesh stabilization of the cathode (emission) plasma boundary and mobile anode (beam) plasma boundary are investigated. It is demonstrated that the limiting parameters of the electron beam in the examined electrode system are limited by its energy content on a level of about 4 kJ the excess of which leads to an electric breakdown of the accelerating gap. The optimal pressures are determined at which the beam during its transportation in the longitudinal magnetic field with a preset configuration has maximal parameters for the given electrode system. Different mechanisms of electric breakdown initiation and methods for increasing the electric strength of the high-voltage accelerating gap in this electrode system are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Pulsed Electron Source with Grid Plasma Cathode and Longitudinal Magnetic Field for Modification of Material and Product Surfaces

The description and the main characteristics of the pulsed electron source “SOLO” developed on the basis of the plasma cathode with grid stabilization of the emission plasma boundary are presented. Тhe emission plasma is generated by a low-pressure arc discharge, and that allows to form the dense low-energy electron beam with a wide range of independently adjustable parameters of beam current pulses (pulse duration of 20–250 μs, pulse repetition rate of 1–10 s{sup –1}, amplitude of beam current pulses of 20–300 A, and energy of beam electrons of 5–25 keV). Тhe special features of generation of emission plasma by constricted low-pressure arc discharge in the grid plasma cathode partially dipped into a non-uniform magnetic field and of formation and transportation of the electron beam in a longitudinal magnetic field are considered. The application area of the electron source and technologies realized with its help are specified.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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↗