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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 37 records · Page 2

Recycling positive-electrode material of a lithium-ion battery

Examples are disclosed of methods to recycle positive-electrode material of a lithium-ion battery. In one example, the positive-electrode material is heated under pressure in a concentrated lithium hydroxide solution. After heating, the positive-electrode material is separated from the concentrated lithium hydroxide solution. After separating, the positive electrode material is rinsed in a basic liquid. After rinsing, the positive-electrode material is dried and sintered.

25 ENERGY STORAGE↗

Chemical Heterointerface Engineering on Hybrid Electrode Materials for Electrochemical Energy Storage

Abstract The chemical heterointerfaces in hybrid electrode materials play an important role in overcoming the intrinsic drawbacks of individual materials and thus expedite the in‐depth development of electrochemical energy storage. Benefiting from the three enhancement effects of accelerating charge transport, increasing the number of storage sites, and reinforcing structural stability, the chemical heterointerfaces have attracted extensive interest and the electrochemical performances of hybrid electrode materials have been significantly optimized. In this review, recent advances regarding chemical heterointerface engineering in hybrid electrode materials are systematically summarized. Especially, the intrinsic behaviors of chemical heterointerfaces on hybrid electrode materials are refined based on built‐in electric field, van der Waals interaction, lattice mismatch and connection, electron cloud bias and chemical bond, and their combination. The strategies for introducing chemical heterointerfaces are classified into in situ local transformation, in situ growth, cosynthesis, and other strategy. The recent progress about the chemical heterointerfaces engineering specially focusing on metal‐ion batteries, supercapacitors, and Li–S batteries are introduced in detail. Furthermore, the classification and characterization of chemical heterointerfaces are briefly described. Finally, the emerging challenges and perspectives about future directions of chemical heterointerface engineering are proposed.

Li, Wenbin↗

Reversible Disorder-to-Order Transition Induced by Aqueous Lithiation in Vanadate Electrode Materials

Vanadium-based oxides are intriguing electrode materials in aqueous electrochemical systems owing to their low cost and high theoretical capacity for alkali storage, especially lithium (Li) ions. However, a sequence of phase transformations and irreversible structure distortion upon Li-ion intercalation causes structural instability and has been a lingering problem for vanadium oxide electrodes. Here, in this work, we investigate lithium vanadate (Li–V 3 O 8 ) for aqueous Li-ion intercalation and deintercalation processes. Unlike its crystalline V 2 O 5 polymorph, Li–V 3 O 8 retains monophasic lithiation, which is attributed to its disordered crystalline nature and large interplanar distance. Importantly, we show a unique and reversible sequence of disorder-to-order structural transition induced by the extent of lithiation, which indicates sequential interlayer and intralayer lithiation process, and vice versa in delithiation process, supported by electrokinetic analysis, in situ X-ray diffraction (XRD), and Debye scattering simulations. The absence of distortive phase transitions and multilithiation pathways facilitates Li-ion diffusion across the vanadate electrode materials to improve storage capacity. This work opens a new dimension for vanadium-based disordered oxides, accelerating the development of low-cost, aqueous electrochemical systems.

36 MATERIALS SCIENCE↗

Aqueous processing of composite lithium ion electrode material

A method of making a battery electrode includes the steps of dispersing an active electrode material and a conductive additive in water with at least one dispersant to create a mixed dispersion; treating a surface of a current collector to raise the surface energy of the surface to at least the surface tension of the mixed dispersion; depositing the dispersed active electrode material and conductive additive on a current collector; and heating the coated surface to remove water from the coating.

25 ENERGY STORAGE↗

Defect-free-induced Na + disordering in electrode materials

For reaching high-performance of electrode materials, it is generally believed that understanding the structure evolution and heterogeneous alignment effect is the key. Presently, a very simple and universally applicable self-healing method is investigated to prepare defect-free Prussian blue analogs (PBAs) that reach their theoretical capacity as cathode materials for sodium-ion batteries (SIBs). For direct imaging of the local structure and the dynamic process at the atomic scale, we deliver a fast ion-conductive nickel-based PBA that enables rapid Na + extraction/insertion within 3 minutes and a capacity retention of nearly 100% over 4000 cycles. This guest-ion disordered and quasi-zero-strain nonequilibrium solid–solution reaction mechanism provides an effective guarantee for realizing long-cycle life and high-rate capability electrode materials that operate via reversible two-phase transition reaction. Unconventional materials and mechanisms that enable reversible insertion/extraction of ions in low-cost metal–organic frameworks (MOFs) within minutes have implications for fast-charging devices, grid-scale energy storage applications, material discovery, and tailored modification.

36 MATERIALS SCIENCE↗

Calibration-Free Quantitative Analysis of Lithium-Ion Battery (LiB) Electrode Materials Using Laser-Induced Breakdown Spectroscopy (LIBS)

Recent years have seen a surge in the demand for high-performance battery electrode materials for automotive and various electronic device applications. Improving battery performance requires precise knowledge of the structure–composition properties of active electrode materials. To this effect, quantitative and precise estimation of the composition of advanced electrode materials, containing trace amounts of dopants, provide immense value toward developing next-generation high-capacity battery materials. Herein, we demonstrate the application of calibration-free laser-induced breakdown spectroscopy (LIBS) as a powerful analytical tool for rapid and reliable quantitative spectrochemical characterizations of layered Li metal oxide cathodes containing Mo and Cr dopants (<5 atom %). Specifically, we employ the LIBS using an internal calibration methodology to establish the quantitative elemental ratios of major (Ni, Mn, Co) and trace dopant (Cr, Mo) transition metals to bulk Li contents in diverse cathode material samples such as LiNi 0.5 Mn 0.5 O 2 (NM-50/50), LiNi 0.33 Mn 0.33 Co 0.33 O 2 (NMC), LiNi 0.317 Mn 0.317 Co 0.317 Cr 0.05 O 2 (Cr-doped NMC), and LiNi 0.5– x /2 Mn 0.5– x /2 Mo x O 2 ( x = 0.03, 0.04, 0.05) (Mo-doped NM-50/50) that were synthesized via sol–gel routes. The LIBS-estimated elemental compositions are in good agreement with the nominal stoichiometric values. Furthermore, ex situ LIBS characterizations presented here pave the path for future high-efficacy application of calibration-free quantitative LIBS for rapid in situ analyses of elemental composition changes in battery electrode materials under operation that need not resort to off-site analytical techniques requiring cumbersome sample preparations and/or external standards.

25 ENERGY STORAGE↗

In Situ and Surface-Enhanced Raman Spectroscopy Study of Electrode Materials in Solid Oxide Fuel Cells

Solid oxide fuel cells (SOFCs) represent next-generation energy sources with high energy conversion efficiencies, low pollutant emissions, good flexibility with a wide variety of fuels, and excellent modularity suitable for distributed power generation. As an electrochemical energy conversion device, the SOFC’s performance and reliability depend sensitively on the catalytic activity and stability of electrode materials. To date, however, the development of electrode materials and microstructures is still based largely on trial-and-error methods because of the inadequate understanding of electrode process mechanisms. Therefore, the identification of key descriptors/properties for electrode materials or functional heterogeneous interfaces, especially under in situ/operando conditions, may provide guidance for the design of optimal electrode materials and microstructures. Here, Raman spectroscopy is ideally suited for the probing and mapping of chemical species present on electrode surfaces under operating conditions. And to boost the sensitivity toward electrode surface species, the surface-enhanced Raman spectroscopy (SERS) technique can be employed, in which thermally robust SERS probes (e.g., Ag@SiO 2 core–shell nanoparticles) are designed to make in situ/operando analysis possible. Furthermore, this review summarizes recent progresses in the investigation of SOFC electrode materials through Raman spectroscopic techniques, including topics of early stage carbon deposition (coking), coking-resistant anode modification, sulfur poisoning, and cathode degradation. In addition, future perspectives for utilizing the in situ/operando SERS for investigations of other electrochemical surfaces and interfaces are also discussed.

25 ENERGY STORAGE↗

Aqueous energy storage devices with organic electrode materials

An aqueous metal-ion battery and a method for constructing same. In one embodiment, the battery includes an aqueous electrolyte and at least one electrode comprising at least one organic electrode material. A method comprises incorporating an organic electrode material into the electrode of an aqueous metal-ion battery. The organic electrode material further comprises at least one material chosen from carbonyl compounds.

Yao, Yan↗

Identification and Mitigation of Generated Solid By-Products during Advanced Electrode Materials Processing

A scalable, solid-state elevated temperature process was developed to produce high capacity carbonaceous electrode materials for energy storage devices via decomposition of starch-based precursor in an inert atmosphere. The fabricated carbon-based architectures are useful as an excellent electrode material for lithium-ion, sodium-ion and lithium-sulfur batteries. This article focuses on the study and analysis of the formed nanometer-sized byproducts during the lab-scale production of carbonaceous electrode materials in the process design phase. The complete material production process was studied by operation, namely during heating, holding the reaction at elevated temperature, followed by cooling. The unknown downstream particles in the process exhaust were collected and characterized via aerosol and liquid suspensions, and they were quantified using direct-reading instruments for number and mass concentrations. The airborne emissions were collected on polycarbonate filters and TEM grids using the Tsai diffusion sampler (TDS) for characterization and further analysis. Released byproduct aerosols collected in a deionized (DI) water trap were analyzed using a Nanosight real time nanoparticle characterization system and the aerosols emitted post water suspension were collected and characterized. Individual particles in the nanometer size range were found in exhaust aerosols, however, crystal structured aggregates were formed on the sampling substrate after a long-term sampling of emitted exhaust. After characterizing the released aerosol byproducts, methods were also identified to mitigate possible human and environmental exposures upon the industrial implementation of such a process.

25 ENERGY STORAGE↗

Toward MBenes Battery Electrode Materials: Layered Molybdenum Borides for Li-Ion Batteries

Lithium-ion and sodium-ion batteries (LIBs and SIBs) are crucial in our shift toward sustainable technologies. In this work, the potential of layered boride materials (MoAlB and Mo 2 AlB 2 ) as novel, high-performance electrode materials for LIBs and SIBs, is explored. It is discovered that Mo 2 AlB 2 shows a higher specific capacity than MoAlB when used as an electrode material for LIBs, with a specific capacity of 593 mAh g -1 achieved after 500 cycles at 200 mA g -1 . It is also found that surface redox reactions are responsible for Li storage in Mo 2 AlB 2 , instead of intercalation or conversion. Moreover, the sodium hydroxide treatment of MoAlB leads to a porous morphology and higher specific capacities exceeding that of pristine MoAlB. When tested in SIBs, Mo 2 AlB 2 exhibits a specific capacity of 150 mAh g -1 at 20 mA g -1 . These findings suggest that layered borides have potential as electrode materials for both LIBs and SIBs, and highlight the importance of surface redox reactions in Li storage mechanisms.

25 ENERGY STORAGE↗

Research on the mechanism of interactions between Li/Na/K atoms and electrode materials

As the demand for high-capacity battery materials continues to grow, the exploration of the interaction mechanisms between Li/Na/K atoms and electrode materials has gained tremendous attention. In this study, we introduce a descriptor (ɛɑ) aimed at efficiently identifying high-performance electrode materials, specifically from two-dimensional transition metal chalcogenides and C and N compounds (MXenes). Our density functional theory calculations disclose a robust linear relationship between this descriptor and the adsorption energy (Ead), represented as Ead = ɛɑ + b. The fitting parameters, ɛɑ and b, are individually linked to the inherent properties of the substrate and adsorbate. Explicitly, the descriptor ɛɑ represents the capacity of the electrode material to accommodate an extra electron, while the intercept b is determined by the ionization energy (EIP) of alkali atoms and the coupling energy (Ecp) between the cation to the negatively charged substrate. This finding serves as a practical guide for designing high-capacity battery materials and paves the way for future advancements in this field.

Physics↗

Magnetite (Fe 3 O 4 )—multiwalled carbon nanotube composite structures with performance as high rate electrode materials for Li-ion batteries

A method of synthesizing an electrode material for lithium ion batteries from Fe 3 O 4 nanoparticles and multiwalled carbon nanotubes (MWNTs) to yield (Fe 3 O 4 -NWNTs) composite heterostructures. The method includes linking the Fe 3 O 4 nanoparticles and multiwalled carbon nanotubes using a π-π interaction synthesis process to yield the composite heterostructure electrode material. Since Fe 3 O 4 has an intermediate voltage, it can be considered an anode (when paired with a higher voltage material) or a cathode (when paired with a lower voltage material).

Wong, Stanislaus↗

Sequential separation of battery electrode materials and metal foils in aqueous media

To recycle high-value lithium-ion battery components, it is imperative to efficiently separate electrode materials from current collector foils and to separate cathodes from anodes. This study investigates the delamination behaviors of cathodes and anodes from their respective current collectors in aqueous media. Whereas anode films can easily detach from copper foils in water, the delamination of cathode films does not exhibit the same behavior in water; instead, the cation exchange reaction results in lithium leaching and aluminum corrosion in the presence of water. Here, a buffer solution with surfactant additives has been designed to prevent aluminum corrosion and to improve solution wetting behavior, thereby facilitating cathode delamination. The delamination difference enables the sequential recovery of electrode materials and metal foils at different separation stages, simplifying the traditionally intricate processes within a one-pot recovery system. The recovered materials retain their crystal structure and morphology, and there are no signs of aluminum corrosion or residues on the metal foils. The sequential separation technique achieves nearly 100% separation efficiency for electrode materials from metal foils and over 98% separation efficiency for cathode and anode materials.

25 ENERGY STORAGE↗

Is Cu a stable electrode material in hybrid perovskite solar cells for a 30-year lifetime?

One grand challenge for long-lived perovskite solar cells is that the common electrode materials in solar cells, such as silver and aluminum or even gold, strongly react with hybrid perovskites. Here we report the evaluation of the potential of copper (Cu) as the electrode material in perovskite solar cells for long-term stability. In encapsulated devices which limit exposure to oxygen and moisture, Cu in direct contact with CH 3 NH 3 PbI 3 showed no reaction at laboratory time scales, and is predicted to be stable for almost 170 years at room temperature and over 22 years at the nominal operating cell temperature of 40 °C. No diffusion of Cu into CH 3 NH 3 PbI 3 has been observed after thermal annealing for over 100 hours at 80 °C, nor does Cu cause charge trap states in direct contact with CH 3 NH 3 PbI 3 after long-term thermal annealing or illumination. High performance devices with efficiency above 20% with Cu electrode retains 98% of the initial efficiency after 816 hours storage in ambient environment without encapsulation. Finally, the results indicate Cu is a promising low-cost electrode material for perovskite solar cells for long-term operation.

25 ENERGY STORAGE↗

Machine Learning the Voltage of Electrode Materials in Metal-Ion Batteries

Machine-learning (ML) techniques have rapidly found applications in many domains of materials chemistry and physics where large data sets are available. Aiming to accelerate the discovery of materials for battery applications, in this work, we develop a tool based on ML models to predict voltages of electrode materials for metal-ion batteries. To this end, we use deep neural network, support vector machine, and kernel ridge regression as ML algorithms in combination with data taken from the Materials Project database, as well as feature vectors from properties of chemical compounds and elemental properties of their constituents. We show that our ML models have predictive capabilities for different reference test sets and, as an example, we utilize them to generate a voltage profile diagram and compare it to density functional theory calculations. In addition, using our models, we propose nearly 5000 candidate electrode materials for Na- and K-ion batteries. We also make available a web-accessible tool that, within a minute, can be used to estimate the voltage of any bulk electrode material for a number of metal ions. Here, these results show that ML is a promising alternative for computationally demanding calculations as a first screening tool of novel materials for battery applications.

25 ENERGY STORAGE↗

From graphite-clay composites to graphene electrode materials: In-situ electrochemical oxidation and functionalization

Highlights: • Graphene was synthesized by electrochemical exfoliation of graphite-clay rods with different clay:graphite ratios. • In-situ electrochemical oxidation and functionalization were used in the exfoliated process. • Graphene thin-film electrodes were constructed for supercapacitors and lithium ion batteries. • This work provided a value-added way that can transform the low-purity graphite resources to graphene electrode materials. - Abstract: The development of cost- and time-effective methods to synthesize graphene materials is very urgent in order to promote its large-scale application in electrochemical energy storage devices. Herein, graphene materials were synthesized by the electrochemical exfoliation (electrochemical oxidation) of graphite-clay rods with different clay:graphite ratios in aqueous solution and in short reaction time (1 h). The dual role of electrochemical oxidation reaction was presented: (1) the electrochemical oxidation reaction facilitates the exfoliation of pencil graphite leads and in-situ forms functional groups on graphene; (2) the electrochemical oxidation reaction enhances the Faradaic reaction in supercapacitor. The in-situ electrochemical oxidation and functionalization methods can transform low purity graphite to high-value graphene electrode materials for supercapacitors and lithium ion batteries. The specific capacitances of exfoliated graphene are 20-time larger than that of graphite-clay composites. This work provided a value-added way that can transform the low-purity graphite resources to high performance graphene electrode materials.

36 MATERIALS SCIENCE↗