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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Numerical investigation of micro-galvanic corrosion in Mg alloys: Role of the cathodic intermetallic phase size and spatial distributions

Magnesium alloys are of increasing interest in structural applications due to their low-density, moderate specific strength and stiffness, recyclability, and high damping among other properties. However, the wide-scale applicability of magnesium alloys in structural applications has been limited due to many factors including its poor corrosion resistance. In this work, a numerical investigation to simulate the micro-galvanic corrosion behavior was performed to examine the influence of size and distribution of cathodic intermetallic phase (ß-Mg17Al12) in a Mg matrix. The ratio of cathodic to anodic surface area was kept constant in each simulation condition to understand the effect of size and spacing distributions. In general, fragmentation of a larger intermetallic particle into smaller ones was found to enhance the localized current density. However, the uniform distribution of this small intermetallic phase throughout the matrix was found to reduce the overall dissolution current density and hence, pitting corrosion severity.

Beura, Vikrant↗
DOE OSTI2026

Liquified SO 2 induced solid/cathode electrolyte interphase for lithium ion batteries

Formation of robust solid/cathode electrolyte interphases (S/CEI) is vital for long-term stability and high-performance operation of lithium-ion batteries (LIBs), particularly under high voltage regimes. However, engineering electrochemically stable S/CEIs that effectively suppress interfacial side reactions remains a key challenge. Herein, we introduce a liquefied sulfur dioxide (SO 2 )– ionic liquid complex as a fluorine-free multifunctional electrolyte additive for the first time that significantly improves the formation of sulfate/sulfite-rich S/CEI layers at both graphite and NMC811 interfaces. The unique SO 2 -N coordination with a 1,2,4-triazolide-based ionic liquid enables homogeneous SO 2 dissolution, resulting in controlled SO 2 decomposition during the initial electrochemical cycle. This decomposition yields sulfur-rich interphase species that stabilize the electrolyte-electrode interface, reduce impedance growth, and lessen electrolyte decomposition. Electrochemical tests show significantly improved cycle life, reduced polarization, and increased Coulombic efficiency for both anodes and cathodes. XPS confirms the presence of SO 2 -derived surface species that contribute to interfacial stability. In conclusion, this approach highlights a new direction for interphase engineering using liquefied gas additives and opens pathways for sulfur-based S/CEI chemistry in advanced battery systems.

Graphite↗
DOE OSTI2026

An Accelerated Testing and Analysis Framework for Qualification of Battery Materials

The continuously growing demand for batteries used within automotive, aviation, and grid applications has exacerbated the need to supplement critical battery material feedstocks, such as those for anode and cathode active materials. New or supplementary material sources, however, universally comprise unique material properties that can significantly affect the lifetime and performance of resultant batteries. As such, the influence of composition, microstructure, and morphology on electrochemical performance should be characterized quickly and accurately to accelerate commercialization of new material sources. This work introduces a tiered framework to quickly assess new material viability and understand the influence of physicochemical properties on battery performance. The Tier 1 testing described here is rapid and lower-effort to quickly recognize materials with fundamental flaws and potentially disqualify them. Later testing would require more time and effort but provide higher fidelity information with a goal of validating materials for specific applications. A case study examining various commercial sources of LiFePO4 (LFP) is presented, using Tier 1 of the protocol to identify rapid electrochemical and physicochemical signals that correlate with performance and to provide early go/no-go decisions on LFP materials without the need for long-term cycling data.

25 - ENERGY STORAGE↗
DOE OSTI2025

Monitoring the long-term performance of organic redox flow battery by a distribution of relaxation time analysis

Organic redox flow batteries hold great promise as an energy storage technology, but their intricate chemistry makes them vulnerable to various degradation mechanisms. Monitoring this degradation is essential for identifying the limiting processes within the cells. Electrochemical impedance spectroscopy (EIS) offers a straightforward, in-situ method for measuring the total resistance of an operating cell. However, to pinpoint the limiting processes during long-term cycling, EIS data must be complemented by other techniques. Distribution of relaxation time (DRT) analysis is particularly effective for differentiating resistance components. Here, in this study, we perform a comprehensive analysis of resistance evolution and the separation of anode and cathode contributions during long-term cycling of a full cell employing 7,8-dihydroxyphenazine-2-sulfonic acid (DHPS) as the anolyte. Separate analyses of the DHPS anolyte and ferri-/ferrocyanide catholyte were conducted using a symmetric cell setup. The relaxation times derived from symmetric cells facilitate the identification of peaks in the DRT profiles from the full cell. Importantly, the DRT profiles indicate a correlation between the evolution of charge transfer resistance and the chemical degradation of DHPS. The methodologies and results outlined in this study offer significant insights for developing diagnostic tools applicable to other types of redox flow batteries.

Distribution of relaxation time↗
DOE OSTI2020

High-performance and cost-effective membrane electrode assemblies for advanced proton exchange membrane water electrolyzers: Long-term durability assessment

In this work, improved activity and durability performance of a two-cell (86 cm 2 ) proton exchange membrane water electrolyzer (PEMWE) stack is reported for the first time. Both membrane electrode assemblies (MEAs) contain one order of magnitude lower platinum group metal (PGM) loadings compared to the state-of-the-art PEMWEs and incorporate novel Pt recombination layers. The high-performance and cost-effective MEAs are fabricated by the unique reactive spray deposition technology (RSDT). This advanced methodology allows for one-step fabrication of MEAs and ensures precise control and distribution of the catalyst composition and loading. The RSDT-fabricated MEAs contain only 0.2 and 0.3 mg PGM cm –2 loading in the cathode and anode electrodes, respectively, and demonstrate excellent activity and durability for over 3000 h of operation at industrially-relevant operating conditions without showing significant loss in performance. This novel work shows that a significant cost reduction for PEMWEs is achieved while maintaining excellent durability, high catalysts activities, and low hydrogen cross-over.

Proton exchange membrane water electrolyzer↗
DOE OSTI2022

Direct utilization of gaseous fuels in metal supported solid oxide fuel cells

Direct utilization and internal reforming of gaseous fuels is investigated on symmetric-architecture metal supported solid oxide fuel cells (MS-SOFCs) with thin ceramic electrolyte and scaffold backbone layers, and low cost ferritic stainless steel supports on both sides. Infiltrated Pr-oxide and Ni/samarium-doped ceria catalysts are added to the cathode and anode electrodes, respectively. Initial performance and durability is evaluated for MS-SOFCs operating with natural gas, propane, ammonia, and dimethyl ether at 700 °C. Cells for natural gas and propane utilize a novel high entropy alloy (HEA) catalyst for internal reforming with performance and degradation rates similar to H 2 (0.5W cm -2 and ~12%/100 h). In conclusion, initial testing with sulfur shows reversible degradation for levels found in natural gas and irreversible degradation for higher levels found in commercial propane. Overall, MS-SOFCs show successful fuel flexibility.

08 HYDROGEN↗
DOE OSTI2020

Voltammetry measurements in lithium chloride-lithium oxide (LiCl–Li 2 O) salt: An evaluation of working electrode materials

Instrumentation to provide process monitoring (PM) and safeguards for the oxide reduction (OR) step in the electrochemical processing of used oxide nuclear fuel is necessary to ensure equipment is operated as declared. Cyclic voltammetry (CV) has been proposed for real-time monitoring of the operation of an OR process for safeguards purposes. In this study, different materials including 316 stainless steel (SS), tantalum (Ta), molybdenum (Mo), tungsten (W), platinum (Pt), and iridium (Ir) were evaluated as potential working electrode (WE) materials based on their chemical inertness, corrosion resistance, and sensitivity in detecting Li 2 O and other chloride salts in the OR electrolyte. Of the electrodes evaluated, 316 SS, Ir, and Pt all performed reasonably well in the LiCl-Li 2 O electrolyte. Here, stainless steel was operated in the cathodic potential and had reasonable corrosion resistance and is relatively inexpensive. Iridium could be operated in both the cathodic and anodic potentials and was the most corrosion resistant of those evaluated. Platinum is limited to the anodic potential range, had reasonable corrosion resistance, and was the most sensitive to Li 2 O concentrations in the salt. In the development of a stand-alone safeguards instrumentation, our recommendation is a CV sensor fitted with both Ir and Pt WEs. The results in this study may also be helpful for anode material selection in other electrometallurgy industries, such as molten salt electrolysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Modular Electrochemical Synthesis Using a Redox Reservoir Paired with Independent Half-Reactions

Electrochemical synthesis of high-value chemicals using renewable electricity could lead to sustainability advantages over conventional chemical manufacturing. The tight coupling between paired anodic and cathodic reactions in conventional electrochemical processes, however, constrains the products and their efficiencies. Here, we demonstrate a strategy to achieve modular electrochemical synthesis (ModES) of different chemicals by decoupling and pairing the oxidative and reductive half-reactions with a heterogeneous redox reservoir (RR). Specifically, sodium nickel hexacyanoferrate (NaNiHCF) can serve as a robust and reversible RR that enables the modular production of several strong oxidants, hydrogen peroxide (H 2 O2) and sodium persulfate (Na 2 S 2 O 8 ) or active chlorine, in separate RR-coupled electrochemical processes. The system’s excellent performance and operational stability is demonstrated by continuous operation over 100 cycles (~36 h) to produce H 2 O 2 and Na 2 S 2 O 8 with a high voltage efficiency. The concept presented here highlights the prospects for using RRs to enable efficient, modular, and on-demand electrochemical synthesis of valuable chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Achieving Highly Reproducible Results in Graphite-based Li-ion Full Coin Cells

Electrode materials, cathodes or anodes, are mostly evaluated in half coin cells where lithium (Li) metal is used. However, due to the instability nature of Li metal, the cycling performances of the half cells is more likely reflecting Li anode stability instead of the coupled electrodes, questioning the conclusions. Full coin cells utilizing graphite as the anode effectively assesses materials. But the key factors of preparing full coin cells with reproducible performances have rarely been discussed and overlooked leading to many inconsistent results. This work discusses the scientific gap between cell preparation and observed electrochemical performances to unveil the key parameters for achieving consistent and reliable results in full coin cells, critical for effective evaluation of any new materials tested under relevant conditions. The knowledge from this work is broadly applicable in other full cells systems such as Si-based full cells or Na-ion batteries.

Hu, Jiangtao↗
DOE OSTI2020

Effect of overcharge on Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 /Graphite cells–effect of binder

Cells based on NMC/graphite, containing styrene-butadiene rubber/carboxymethylcellulose binder in the anodes and pVdF latex/carboxymethykellulose in the cathodes, were systematically overcharged to 100, 120, 140, 160, 180, 250% and 270% state-of-charge. The impact of the binder was characterized by elemental analysis, SEM, and HPLC. These results were compared to similar cells just using the poly (vinylidene difluoride) binder. Not only did the binder impact the rate of transition metal transport from the cathode to the anode, it also had a marked effect on the microstructure and composition of the materials on the anode surface.

25 ENERGY STORAGE↗
DOE OSTI2021

A low-cost sulfate-based all iron redox flow battery

Redox flow batteries (RFBs) are promising choices for stationary electric energy storage. Nevertheless, commercialization is impeded by high-cost electrolyte and membrane materials. Here, we report a low-cost all-iron RFB that features inexpensive FeSO 4 electrolytes, microporous membrane along with a glass fiber separator. The addition of 0.1 м 1-ethyl-3-methylimidazolium chloride (EMIC) overcomes the low solubility of FeSO 4 in water which is raised to 2.2 м. DFT calculations demonstrate that EMI + can strengthen the interaction between sulfate anions and water molecules. This electrolyte composition also allows both anode and cathode reactions to operate without actively maintaining a pH gradient between them, thus eliminating the need for expensive ion exchange membranes. The all-iron RFB demonstrates stable operation at a current density of 20 mA cm –2 for more than 800 cycles via a simple, periodic regeneration process. Furthermore, the system cost of FeSO 4 /EMIC RFBs is projected to be $ 50 per kWh due to its low-cost active materials and the inexpensive microporous membrane. Finally, this low-cost, high-concentration all-iron RFB is a promising stationary energy–storage system for storing renewable energy.

25 ENERGY STORAGE↗
DOE OSTI2024

NaSICON-type materials for lithium-ion battery applications: Progress and challenges

Lithium-ion batteries (LIBs) are widely used in electric vehicles, energy storage, smart grids, and portable devices due to their high average output voltage and energy density. NaSICON-type materials have been identified as potential candidates for electrode and solid electrolyte materials for LIBs due to their 3D framework, which contains Li + ions, excellent ionic conductivity, and thermal stability. NaSICON-type materials have a 3D framework and a fast Li + diffusion pathway, making them suitable for use in LIBs. However, their application as solid electrolytes is limited due to poorer ionic conductivity and interfacial stability compared to commercialized liquid electrolytes. Furthermore, their use as electrode materials is restricted by their low electronic conductivity. Here, this review provides an overview of NaSICON-type materials, including their common structure, Li + diffusion mechanism, and preparation strategies. The article also discusses the application and modification strategies of NaSICON-type materials for LIBs, classifying them as anode materials, cathode materials, and solid electrolyte materials. Additionally, the potential use of NaSICON-type materials as modification materials for cathode materials for LIBs is briefly mentioned. Building on previous work on NaSICON-type materials, we propose potential areas for further development and wider applications of these materials in LIBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Weakly solvating ester electrolyte for high voltage sodium-ion batteries

Ethyl acetate (EA) was identified as a promising electrolyte solvent for sodium-ion batteries (SIBs), exhibiting low viscosity, cost-effectiveness, and low toxicity. Despite a significant portion of aggregation being linked to the weak solvation of Na + /EA as revealed by molecular dynamics (MD) simulations, pulsed-field gradient nuclear magnetic resonance (pfg-NMR) analysis identified a noteworthy Na+ diffusion coefficient of 3.95×10 -10 m 2 s -1 at 25°C in the presence of 1 m NaPF 6 salt. Employing fluoroethylene carbonate (FEC) as a film-forming additive to create electrode-electrolyte interphase, this electrolyte surprisingly made ~210 mAh Na 0.97 Ca 0.03 [Mn 0.39 Fe 0.31 Ni 0.22 Zn 0.08 ]O 2 (NCMFNZO)/hard carbon (HC) pouch cells achieve a lengthy cycling lifetime of 250 cycles with ~80 % capacity retention, cycled up to 4.0 V at 40°C. X-ray photoelectron spectroscopy (XPS) revealed increasing interphasial organic species over cycling, augmenting charge transfer resistance on both cathode and anode, particularly during fast charging or low temperatures (<10°C), promoting Na plating. Finally, gas chromatography-mass spectrometry combined with density functional theory identified CO 2 as the major gas generated from charged cathode/electrolyte interactions, exhibiting temperature/voltage dependence.

25 ENERGY STORAGE↗
DOE OSTI2025

Deciphering volume changes in Li-S solid-state battery components during cycling: Implication for advanced battery design

Here, in this work, we developed custom fixtures to investigate the mechanical and electrochemical behavior of all-solid-state lithium batteries during cycling under constant pressure and constant volume conditions. We successfully monitored vertical displacements during constant pressure cycling and pressure variations during constant volume cycling, allowing us decouple volume changes in the sulfur, Li 2 S cathodes, LixIn anode, and solid-state electrolyte. Scanning electron microscopy and electrochemical impedance spectroscopy confirmed that two structural changes occur during ASSLB cycling: (1) irreversible fractures in the active material particles, and (2) void formation within the electrode matrix. While the fractures in primary particles are permanent, void formation can be mitigated through stack pressure, which promotes particle rearrangement in the electrode matrix. Our findings emphasize the importance of stack pressure in maintaining the microscale integrity of all-solid-state lithium batteries, preventing void formation and enhance battery performance and durability.

Cell Design↗
DOE OSTI2021

Glioblastoma cell migration is directed by electrical signals

Electric field (EF) directed cell migration (electrotaxis) is known to occur in glioblastoma multiforme (GBM) and neural stem cells, with key signalling pathways frequently dysregulated in GBM. One such pathway is EGFR/PI3K/Akt, which is down-regulated by peroxisome proliferator activated receptor gamma (PPARγ) agonists. We investigated the effect of electric fields on primary differentiated and glioma stem cell (GSCs) migration, finding opposing preferences for anodal and cathodal migration, respectively. We next sought to determine whether chemically disrupting Akt through PTEN upregulation with the PPARγ agonist, pioglitazone, would modulate electrotaxis of these cells. We found that directed cell migration was significantly inhibited with the addition of pioglitazone in both differentiated GBM and GSCs subtypes. Western blot analysis did not demonstrate any change in PPARγ expression with and without exposure to EF. In summary we demonstrate opposing EF responses in primary GBM differentiated cells and GSCs can be inhibited chemically by pioglitazone, implicating GBM EF modulation as a potential target in preventing tumour recurrence.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Li + Diffusion in Amorphous and Crystalline Al 2 O 3 for Battery Electrode Coatings

Al 2 O 3 is often applied protectively to lithium-ion battery anode and cathode materials to inhibit surface degradation, suppress dendrite formation, and relieve mechanical stresses. Given the very high intrinsic band gap and diffusion barrier of the material, the mechanism that allows Li diffusion through these coatings is not well understood, and widely varying laboratory results indicate that there may be dependencies on morphology and stoichiometry. Using nudged elastic band calculations and ab initio molecular dynamics, we perform a systematic investigation across Al 2 O 3 structures, both crystalline and amorphous, and at various concentrations of Li + to uncover the optimal parameters for maximally diffusive coatings. We find a correlation between the low proximity of Li + to Al 3+ and the low Li + migration barrier. Although barriers are the lowest in the highly diffusive one-dimensional channels of crystalline θ-Al 2 O 3 , the system is structurally delicate and subject to detrimental distortion as the Li + content is increased. The α-Al 2 O 3 lattice is, conversely, highly stable against distortion at all Li + concentrations but disadvantageous for Li + migration. In amorphous systems, unscreened Li + –Li + Coulomb repulsion and pre-emptive occupation of “trapping sites” combine to lower the energy barriers as a function of increasing concentration. One of our most important findings is that Al-deficient materials can sharply increase Li + movement, and we predict that an amorphous material with a combination of high Li + concentration and Al deficiency would enable highly Li + -conductive protective coatings for electrodes.

25 ENERGY STORAGE↗
DOE OSTI2025

Characterizing Electrode Materials and Interfaces in Solid-State Batteries

Solid-state batteries (SSBs) could offer improved energy density and safety, but the evolution and degradation of electrode materials and interfaces within SSBs are distinct from conventional batteries with liquid electrolytes and represent a barrier to performance improvement. Over the past decade, a variety of imaging, scattering, and spectroscopic characterization methods has been developed or used for characterizing the unique aspects of materials in SSBs. These characterization efforts have yielded new understanding of the behavior of lithium metal anodes, alloy anodes, composite cathodes, and the interfaces of these various electrode materials with solid-state electrolytes (SSEs). This review provides a comprehensive overview of the characterization methods and strategies applied to SSBs, and it presents the mechanistic understanding of SSB materials and interfaces that has been derived from these methods. This knowledge has been critical for advancing SSB technology and will continue to guide the engineering of materials and interfaces toward practical performance.

25 ENERGY STORAGE↗