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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Second Target Station Project (CHESS Technical Report)

CHESS is a direct geometry neutron spectrometer designed to detect and analyze weak signals intrinsic to small cross-sections (e.g., small mass, small magnetic moments or neutron absorbing materials). This instrument is optimized to enable unprecedented characterization of quantum materials, spin liquids, thermoelectric and battery materials, liquids, and soft matter. The ability to simultaneously measure dynamic processes over a wide energy range for very small samples will make CHESS the spectrometer of choice for the initial exploration of new materials. The broad dynamic range will also be well matched to measurements of relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of STS enables use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single experiment. An essential feature of CHESS is the capability for polarization analysis to separate nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials, and better understanding spin-anisotropic correlations. This instrument will employ advanced sample environments such as high-pressure cells, dilution refrigerators, high field cryo-magnets and polarization devices, as well as combinations of these, to solve problems at the forefront of materials research. CHESS will be one of the flagship spectrometers of the Second Target Station (STS), providing world leading capabilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Multifunctional energy storage composites

Described here is a multifunctional energy storage (MES) composite comprising (a) a stack of energy storage materials and (b) one or more structural facesheets sandwiching the stack of energy storage materials, wherein the stack of battery materials is perforated by (c) one or more reinforcements, and wherein the reinforcements are bonded to the structural facesheets. Also described here is a MES composite comprising (a) a stack of energy storage materials, (b) one or more structural facesheets sandwiching the stack of energy storage materials, and (c) one or more reinforcements perforated by the stack of energy storage materials, wherein the reinforcements are bonded to the structural facesheets.

25 ENERGY STORAGE↗
DOE OSTI2023

Cathode active materials for secondary batteries

A cathode active material of formula LiNi x Mn y Al z M α O 2-ε B ε or NaNi x′ Mn y′ Al z′ M′ α′ O 2-ε′ B ε′ , wherein M is a combination of Ti, and Mg; M′ is Ti, Mg, or a combination of thereof; B is selected from the group of F, S, Se, or Cl; 0.8<x<1, 0<y<0.2, 0<z≤0.2, 0≤α≤0.2, 0≤ε≤0.1, 0.5<x′<1, 0<y′<0.5, 0<z′≤0.2, 0≤α′≤0.2, and 0≤ε′≤0.1. The particle is a single crystal, a single particle, or a secondary particle comprising a plurality of primary particles; and the particle is a uniform composition or a concentration gradient composition.

Liu, Tongchao↗
DOE OSTI2024

Cathode materials for secondary batteries

An active cathode material containing particles with a core containing a lithium transition metal oxide, each core at least partially encapsulated by a layer including the lithium transition metal oxide and dopant cation; and an outer layer containing metal oxide; wherein the dopant cation is selected from the group consisting of Al, Ti, Sn, Mg, Zr, Cu, Fe, Ca, W, Ga, Sc, Y, La, Hf, V, In, Nb, Ta, and any combination of two or more thereof; and the dopant cation is present in an amount of 10 wt. % or less of the particle.

Amine, Khalil↗
DOE OSTI2025

X-ray Diffraction Studies of Single-Crystal Materials for Broad Battery Applications

Single-crystal materials have attracted growing interest in battery research due to their well-defined crystallographic orientation, absence of grain boundaries, and enhanced mechanical and electrochemical stability. This Review provides a comprehensive overview of recent advances in the synthesis, structural evolution, and performance optimization of single-crystal electrodes and solid electrolytes. Particular focus is placed on the application of advanced X-ray diffraction (XRD) techniques, including operando synchrotron diffraction, reciprocal space mapping, and Bragg coherent diffraction imaging, which have enabled in-depth investigations of lattice strain, cation disorder, phase transitions, and defect formation. Representative case studies across Ni-rich layered oxides, spinel-type cathodes, and garnet-based electrolytes are examined to highlight the structural features unique to single crystals. Additionally, the synergistic integration of XRD with machine learning, tomography, and spectroscopy is discussed as a powerful direction for real-time analysis and predictive modeling. Furthermore, these insights provide critical guidance for the rational design of high-performance single-crystal materials in lithium, sodium, and solid-state battery systems.

25 ENERGY STORAGE↗
DOE OSTI2022

Li 7 P 2 S 8 Br 0.5 I 0.5 (LPSBI) solid state electrolyte by XPS

There have been increasing surface characterization studies of battery materials specifically in the context of before and after cell operation to determine any chemical changes. Therefore, providing reliable reference spectra of battery-related materials is important. In this paper, survey and high-energy resolution data are reported for the solid-state electrolyte Li 7 P 2 S 8 Br 0.5 I 0.5 (LPSBI), which has been synthesized and characterized at Pacific Northwest National Laboratory. The current data presents narrow scan regions of I 3d, I 4d, Br 3d, O 1s, P 2p, S 2p, and C 1s core level spectra as well as wide-scan survey data that was obtained using Al K a x-ray source with a Thermo Fisher Nexsa instrument.

25 ENERGY STORAGE↗
DOE OSTI2020

Recent Advances in Rechargeable Aluminum-Ion Batteries and Considerations for Their Future Progress

Owing to their high theoretical capacity and reliable operational safety, nonaqueous rechargeable aluminum batteries (RABs) have emerged as a promising class of battery materials and been intensively studied in recent years; however, a lack of suitable, high-performing positive electrode materials, along with the need for air-sensitive and expensive ionic liquid electrolytes, has significantly hindered the practical use of RABs in large-scale applications. Therefore, we sought to carefully analyze positive electrode materials and the associated electrolytes that have been reported in these battery systems in order to stimulate the design of the next generation of high-performance and low-cost RABs. In this review, we have summarized the electrode materials that have been used in both nonaqueous and aqueous RAB systems and provided a rational classification based on the types of materials used and their respective structures. Additionally, we have reviewed electrolytes employed in RABs and have categorized them according to two main types of applications, either for fixed battery systems or for use in portable devices. Here, a systematic account of recent developments on RABs, with a focus on electrode materials, innovative perspectives, and impending research efforts on future RABs, has been included. Finally, a proposed liquid RAB system is discussed with the aim of solving issues regarding fast-charging and long operational lifetimes, followed by insights into solid RABs for use in both portable and multistructural RAB systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Cobalt–Nickel Exchange in Exfoliated Battery Layered Cathode Sheets with Application to Recycling

With the emerging dominance of electric vehicles (EV) in the transportation sector, recycling or upcycling spent battery materials will be required to reduce EV costs, lessen waste, and ease critical material supply chain issues for EV batteries. Here, motivated by work in the literature describing the exfoliation of layered oxides, first‐principles calculations are performed to show that Li x CoO 2 , if exfoliated into nanosheets, can readily undergo transition metal cation exchange in aqueous media. The substitution of Co 3+ or Co 4+ cations inside the sheet by Ni 2+ is associated with modest reaction barriers (Δ G* ≈ 0.3–0.7 eV) and is at most mildly endothermic (Δ G ≈ 0.2–0.3 eV). In contrast, previous battery degradation studies have shown that Co 3+ diffusion is strongly inhibited inside bulk layered oxides. This suggests that processing spent layered oxides as nanosheets can provide a potentially low‐energy‐cost pathway to altering the transition metal and/or dopant stoichiometry, which can be used toward developing new room‐temperature upcycling routes for cathodes from end‐of‐life batteries.

battery recycling↗
DOE OSTI2023

Impact of automated battery sorting for mineral recovery from lithium-ion battery recycling in the United States

The United States has identified several lithium-ion battery materials as critical for reaching the national emission reduction targets that have been set in accordance with the 2015 Paris Agreement. However, with few natural resources available domestically, there is a rapidly growing focus on the development of a domestic recycling industry to recover these materials from end-of-life batteries. Here, we use the Lithium-Ion Battery Resources Assessment (LIBRA) system dynamics model to evaluate the impact of automated battery sorting technology in terms of the shares of cobalt and nickel that are recovered through recycling. Findings show that automated sorting has clear benefits over manual sorting methods by helping recyclers selectively process high-cobalt batteries. By maximizing cobalt recovery, recycling becomes more profitable and drives greater investment in recycling capacity, resulting in a higher share of nickel and cobalt recovered from EOL batteries over time.

25 ENERGY STORAGE↗
DOE OSTI2025

Nano- and Earth-Science-inspired Electric Vehicle Battery Recycling to Secure Battery Supply Chain

With the expected growth of electric vehicles (EV) in the transportation sector, recycling or upcycling spent battery materials will be required to reduce EV costs, lessen waste, and ease critical material supply chain pressure for EV battery applications. “Direct” recycling or upcycling is an alternative to current industrial approaches. Many challenges remain for viable direct battery upcycling, including upgrading the transition metal ratio in the costliest component (cathode oxide); separation of transition metal ions in the exit stream; battery disassembly; improving cathode exfoliation which can lead to a new way of direct recycling; and lithium metal anode recycling -- including safety concerns. We devise and deploy a suite of methods to deal with these challenges. The results pave the way to future work on battery recycling, in areas of technological/commercial readiness level ranging from basic research to large-scale commercialization.

25 ENERGY STORAGE↗
DOE OSTI2022

U.S. Federal Policy Considerations for the Management of Retired Large-Format Batteries

The global demand for large-format batteries used in electric vehicles (EV) and battery energy storage is expected to continue as governments call for zero emission policies. Total installed large-scale stationary battery energy storage is expected to increase almost 20-fold in the coming years - from 17 GW installed globally in 2020 to 358 GW projected in 2030. Similarly, light duty EVs sales globally are expected to increase more than 8-fold from 2020 to 2030 - from 3 million units to 25 million units. The expected demand for large-format batteries brings supply chain concerns, and economic opportunities. Domestic reuse and recycling is one potential circular economy solution for large-format batteries. This presentation discusses current U.S. law and regulatory landscape for the reuse and recycling of large-format batteries, and how certain policy frameworks impact reuse and end-of-life management decisions for large-format battery materials.

battery↗
DOE OSTI2020

Review on organosulfur materials for rechargeable lithium batteries

Organic electrode materials have been considered as promising candidates for the next generation rechargeable battery systems due to their high theoretical capacity, versatility, and environmentally friendly nature. Among them, organosulfur compounds have been receiving more attention in conjunction with the development of lithium-sulfur batteries. Usually, organosulfide electrodes can deliver relatively high theoretical capacity based on reversible breakage and formation of disulfide (S-S) bonds. Here, we provide an overview of organosulfur materials for rechargeable lithium batteries, including their molecular structural design, structure related electrochemical performance study as well as electrochemical performance optimization. In addition, recent progress of advanced characterization techniques for investigation of the structure and lithium storage mechanism of organosulfur electrodes are elaborated. To further understand the perspective application, additive effect of organosulfur compounds for lithium metal anodes, sulfur cathodes as well as high voltage inorganic cathode materials are reviewed with typical examples. Finally, some remaining challenges and perspective of the organosulfur compounds as lithium batteries components are also discussed. This review is intended to serve as a general guidance for researcher to facilitate the development of organosulfur compounds.

25 ENERGY STORAGE↗
DOE OSTI2021

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↗
DOE OSTI2022

Process design for calcination of nickel-based cathode materials by in situ characterization and multiscale modeling

Developing battery materials towards commercial use, from the early discovery through synthesis, processing, scaling up, and eventually to industrial production, may take decades. A notable example is Ni-based layered oxides, which were discovered as early as 1950s and intensively pursued as cathode active materials (CAMs) since the early 90s but have yet to realize their full commercial potential. Significant efforts have been devoted to materials development aiming at improving performance, far less to process development for large-scale synthesis and processing of CAMs. In this paper, we present a rational design of calcination for scalable production of Ni-based CAMs. We start with an overview of the current understanding and knowledge gaps hindering rational process design and scaling-up of the calcination process. Then with specific examples, we demonstrate how to tackle those fundamental challenges through in situ characterization and multiscale modeling. Finally, we conclude by providing perspectives on the remaining challenges and emerging opportunities in commercial development of Ni-based cathodes, calling for more endeavors in this field.

25 ENERGY STORAGE↗
DOE OSTI2023

Battery passports for promoting electric vehicle resale and repurposing

Starting in 2026, most batteries sold in the European Union will require a battery passport. This initiative is part of a broader legislative framework, led by the European Commission, to improve sustainable battery materials sourcing practices and enable a circular economy. All batteries having a capacity of greater than 2 kilowatt-hours will be covered under the legislation, effectively encompassing all electric vehicle (EV) batteries and stationary grid storage batteries. At its core, a battery passport defines a minimum, standard set of information that must be reported for every battery made and sold (see Figure 1). Legislative actions have so far focused on labeling standards enabling raw material traceability and recycling, which has received ongoing support from the European Council and Parliament. Furthermore, work remains to finalize the electrochemical performance and durability minimum reporting requirements by 2024, which has been challenging since performance and durability are subject to many different interpretations.

25 ENERGY STORAGE↗
DOE OSTI2021

Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

Development of high capacity anode materials is one of the essential strategies for next-generation high-performance Li/Na-ion batteries. Rational design, using density functional theory, can expedite the discovery of these anode materials. Here, we propose a new anode material, germanium carbide, g-GeC, for Li/Na-ion batteries. Our results show that g-GeC possesses both benefits of the high stability of graphene and the strong interaction between Li/Na and germanene. The single-layer germanium carbide, g-GeC, can be lithiated/sodiated on both sides yielding Li 2 GeC and Na 2 GeC with a storage capacity as high as 633 mA h/g. Besides germagraphene’s 2D honeycomb structure, fast charge transfer, and high (Li/Na)-ion diffusion and negligible volume change further enhance the anode performance. These findings provide valuable insights into the electronic characteristics of newly predicted 2D g-GeC nanomaterial as a promising anode for (Li/Na)-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Trigonal polymorph of Li 2 MnO 3

We report the discovery of a trigonal polymorph of the prospective Li ion battery material Li 2 MnO 3 and its synthesis in bulk, single crystal form. Crystal growth of trigonal Li 2 MnO 3 is strongly dependent upon the quality of a polycrystalline LiMnO 2 precursor consumed in the synthesis process. The crystal structure of the new trigonal phase is composed of ordered honeycomb layers of LiO 6 and MnO 6 octahedra segregated by layers of LiO 6 octahedra and represents an ordered stacking variant of the known monoclinic polymorph. Diffuse reflectance spectroscopy reveals a direct optical gap of 2.47 ± 0.11 eV and a series of charge excitations that are well explained by the expected Mn 4+ 3d 3 valence. Density functional theory calculations are in excellent agreement with the spectroscopic measurements and find a near degeneracy in the formation energies of the two polymorphs. Furthermore, our results suggest that the trigonal structure resolves the compositional and structural disorder often manifested in the monoclinic phase.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Characterizing Dynamic Structure in Battery Electrodes by Time-Resolved Cryo-TEM

In recent years, cryogenic transmission electron microscopy (cryo-TEM) has enabled high-resolution characterization of sensitive battery materials by minimizing electron beam-induced artifacts and damage. Success of this technique relies on the preparation of thin, rapidly frozen samples, generally by disassembling batteries under inert atmosphere, transferring materials of interest to a TEM grid, and finally plunge freezing into a cryogen. In material degradation studies, this extensive time between electrochemical cycling and cryo-TEM characterization leaves room for structural relaxation, diffusion, and other dynamic processes that make it difficult to precisely correlate the imaged structure with the native structure that evolves during battery cycling or aging. Here, we present a method to integrate battery cycling with fast preparation of electrode samples for cryo-TEM. This enables higher fidelity between the structures characterized and the electrochemical state of interest, which we use to study deformation in silicon nanoparticle anodes for lithium-ion batteries.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗