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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

From Fundamental Interfacial Reaction Kinetics to Macroscopic Current–Voltage Characteristics: Case Study of Solid Acid Fuel Cell Limitations and Possibilities

The unique properties of solid acid electrolytes, in particular CsH 2 PO 4 , are in many ways ideal for fuel cell operation. However, the technology is constrained by high cathode overpotentials. Here a simplified cathode geometry is employed to obtain the fundamental electrochemical parameters (exchange current density and charge transfer coefficient) describing the oxygen reduction reaction (ORR) at the CsH 2 PO 4 -Pt-gas interface. The parameters are incorporated into a 1D model of the voltage–current characteristics of realistic SAFC cathodes, which reproduced the measured polarization behavior of such cathodes without recourse to fitting adjustable parameters. Following this validation, the model is utilized to evaluate the impact of changes to cathode properties, microstructure, and operating conditions. Of these, the charge transfer coefficient, measured to have a value of ≈0.6 for ORR on Pt in the SAFC cathode environment, is found to have the greatest impact on power output. Nevertheless, even without material modifications, a combination of microstructural and operational modifications are identified with projected performance metrics meeting Department of Energy targets (0.8 V at 300 mA cm –2 , and peak power density of 1 W cm –2 ), albeit at high Pt loadings. However, the analysis indicates that truly meaningful advances will likely necessitate the discovery of alternative ORR catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Beneficial Effects of La 0.5 Sr 0.5 CoO 3 Coatings on Thin‐Film LiMn 2 O 4 Cathodes for Lithium Ion Batteries

Abstract The severe capacity loss of spinel LiMn 2 O 4 (LMO) limits the utility of this otherwise promising lithium ion battery cathode material. One of the strategies to mitigate capacity fade is applying a coating on LMO particle surfaces. While this approach yields promising results, there is limited understanding of mechanisms whereby coatings improve LMO capacity retention. Herein, the effects of a new protective coating material, La 0.5 Sr 0.5 CoO 3 (LSCO), in a thin‐film battery geometry that is amenable to fundamental studies of electrode processes, are reported. RF sputtering deposition is used to produce high quality 25–100 nm LMO cathodes on Al 2 O 3 substrates with an intervening Pt/Ti back‐side contact layer. Cycling of the un‐coated cathodes results in capacity loss of 18% over 300 cycles. Adding a 2 nm LSCO layer reduces the capacity loss to 3%. While this may be due in part to reduced Mn dissolution, scanning transmission electron microscopy results indicate that the coating helps to preserve crystallinity and reduce lattice structure distortion due to inhibited formation of defect tetragonal spinel. Three‐electrode electrochemical impedance spectroscopy results reveal that the LSCO coating increases charge transfer and ohmic resistances, but the increases are generally too small to significantly impact cell performance even at high C‐rates.

25 ENERGY STORAGE↗
DOE OSTI2017

Long Cycle Life, Low Self-Discharge Sodium-Selenium Batteries with High Selenium Loading and Suppressed Polyselenide Shuttling

The utilization of selenium as a cathode in rechargeable sodium–selenium batteries is hampered by low Se loading, inferior electrode kinetics, and polyselenide shuttling between the cathode and anode. Here a high-performance sodium–selenium cell is presented by coupling a binder-free, self-interwoven carbon nanofiber–selenium cathode with a light-weight carbon-coated bifunctional separator. With this strategy, electrodes with a high Se mass loading (4.4 mg cm -2 ) render high reversible capacities of 599 mA h g -1 at 0.1C rate and 382 mA h g -1 at 5C rate. In addition, this novel cell offers good shelf-life with a low self-discharge, retaining 93.4% of its initial capacity even after resting for six months. As evidenced by experimental and density functional theory analysis, the remarkable dynamic (cycle life) and static (shelf-life) stabilities originate from the high electrical conductivity, improved Na-ion accessibility through the 3D interconnected open channels, and highly restrained polyselenide shuttle. The findings demonstrate the viability of high-performance sodium–selenium batteries with high selenium loading.

25 ENERGY STORAGE↗
DOE OSTI2019

A Four‐Electron Sulfur Electrode Hosting a Cu 2+ /Cu + Redox Charge Carrier

Abstract The elemental sulfur electrode with Cu 2+ as the charge carrier gives a four‐electron sulfur electrode reaction through the sequential conversion of S↔CuS↔Cu 2 S. The Cu‐S redox‐ion electrode delivers a high specific capacity of 3044 mAh g −1 based on the sulfur mass or 609 mAh g −1 based on the mass of Cu 2 S, the completely discharged product, and displays an unprecedently high potential of sulfur/metal sulfide reduction at 0.5 V vs. SHE. The Cu‐S electrode also exhibits an extremely low extent of polarization of 0.05 V and an outstanding cycle number of 1200 cycles retaining 72 % of the initial capacity at 12.5 A g −1 . The remarkable utility of this Cu‐S cathode is further demonstrated in a hybrid cell that employs an Zn metal anode and an anion‐exchange membrane as the separator, which yields an average cell discharge voltage of 1.15 V, the half‐cell specific energy of 547 Wh kg −1 based on the mass of the Cu 2 S/carbon composite cathode, and stable cycling over 110 cycles.

Wu, Xianyong↗
DOE OSTI2019

A Four-Electron Sulfur Electrode Hosting a Cu 2+ /Cu + Redox Charge Carrier

The elemental sulfur electrode with Cu 2+ as the charge carrier gives a four–electron sulfur electrode reaction through the sequential conversion of S↔CuS↔Cu 2 S. The Cu–S redox–ion electrode delivers a high specific capacity of 3044 mAh g –1 based on the sulfur mass or 609 mAh g –1 based on the mass of Cu 2 S, the completely discharged product, and displays an unprecedently high potential of sulfur/metal sulfide reduction at 0.5 V vs. SHE. The Cu–S electrode also exhibits an extremely low extent of polarization of 0.05 V and an outstanding cycle number of 1200 cycles retaining 72 % of the initial capacity at 12.5 A g –1 . Here, the remarkable utility of this Cu–S cathode is further demonstrated in a hybrid cell that employs an Zn metal anode and an anion–exchange membrane as the separator, which yields an average cell discharge voltage of 1.15 V, the half–cell specific energy of 547 Wh kg –1 based on the mass of the Cu 2 S/carbon composite cathode, and stable cycling over 110 cycles.

25 ENERGY STORAGE↗
DOE OSTI2017

Quantitative Analysis of Electrochemical and Electrode Stability with Low Self-Discharge Lithium-Sulfur Batteries

The viability of employing high-capacity sulfur cathodes in building high-energy-density lithium-sulfur batteries is limited by rapid self-discharge, short shelf life, and severe structural degradation during cell resting (static instability). Unfortunately, the static instability has largely been ignored in the literature. Here, we present in this letter a long-term self-discharge study by quantitatively analyzing the control lithium-sulfur batteries with a conventional cathode configuration, which provides meaningful insights into the cathode failure mechanisms during resting. Utilizing the understanding obtained with the control cells, we design and present low self-discharge (LSD) lithium-sulfur batteries for investigating the long-term self-discharge effect and electrode stability.

25 ENERGY STORAGE↗
DOE OSTI2013

Lithium Metal Anodes for Rechargeable Batteries

Rechargeable lithium metal batteries have much higher energy density than those of lithium ion batteries using graphite anode. Unfortunately, uncontrollable dendritic lithium growth inherent in these batteries (upon repeated charge/discharge cycling) and limited Coulombic efficiency during lithium deposition/striping has prevented their practical application over the past 40 years. With the emerging of post Li-ion batteries, safe and efficient operation of lithium metal anode has become an enabling technology which may determine the fate of several promising candidates for the next generation of energy storage systems, including rechargeable Li-air battery, Li-S battery, and Li metal battery which utilize lithium intercalation compounds as cathode. In this work, various factors which affect the morphology and Coulombic efficiency of lithium anode will be analyzed. Technologies used to characterize the morphology of lithium deposition and the results obtained by modeling of lithium dendrite growth will also be reviewed. At last, recent development in this filed and urgent need in this field will also be discussed.

25 ENERGY STORAGE↗
DOE OSTI2025

Self-Organization of Plasma-Material Interfaces

The primary goals of the project are a) improve the understanding of transport processes, chemical reactions and plasma-driven self-organization such as stratification and filamentation, formation of anode spots, liquid droplets ejection from cathodes, and plasma electrolysis, b) utilize and share among the project participants computational tools developed by the participants to understand plasma-based surface functionalization and plasma-enabled pattern nucleation in a wide range of scales from nano- to millimeters, and c) use experimental methods and facilities available at the University of Alabama in Huntsville (UAH) and Sandia National Laboratories (SNL) to understand and control plasma processes, reaction pathways and the electric nature of self-organization of the plasma-exposed interface structures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Lithium–Iron (III) Fluoride Battery with Double Surface Protection

Abstract Lithium–metal fluoride batteries promise significantly higher energy density than the state‐of‐the‐art lithium‐ion batteries and lithium–sulfur batteries. Unfortunately, commercialization of metal fluoride cathodes is prevented by their high resistance, irreversible structural change, and rapid degradation. In this study, a substantial boost in metal fluoride (MF) cathode stability by designing nanostructure with two layers of protective shells—one deposited ex situ and the other in situ is demonstrated. Such methodology achieves over 90% capacity retention after 300 charge–discharge cycles, producing the first report on FeF 3 as a cathode material, where a very high capacity utilization in combination with excellent stability is approaching the level needed for practical applications of FeF 3 . The cathode solid electrolyte interphase (CEI) containing lithium oxalate and BF bond containing anions is found to effectively protect the cathode material from direct contact with electrolytes, thus greatly suppressing the dissolution of Fe. Quantum chemistry and molecular dynamics calculations provide unique insights into the mechanisms of CEI layer formation. As a result, this work not only demonstrates unprecedented performance, but also provides the reader with a better fundamental understanding of electrochemical behavior of MF cathodes and the positive impact observed with the application of a lithium bis(oxalato)borate salt in the electrolyte.

Zhao, Enbo↗
DOE OSTI2026

Passivation‐Induced Species Dynamics and Microstructural Evolution in Solid‐State Lithium–Sulfur Cathodes

Solid-state lithium–sulfur (SSLS) batteries offer high theoretical energy density, yet their practical viability is hindered by poor sulfur utilization and limited rechargeability. At the core of this challenge lies the passivating nature of Li 2 S, which restricts ionic and electronic transport, suppresses interfacial activity, and severely impedes the reversibility of electrochemical reactions. In this study, we elucidate the mechanistic origins of these limitations by resolving how charge and discharge species form, grow, and spatially evolve within the cathode microstructure under varied current densities and electrode compositions. By resolving the species distribution at the particle scale and coupling it with Raman spectroscopy and X-ray diffraction, we demonstrate how Li 2 S formation induces localized surface passivation that progressively limits electrochemical accessibility within the cathode microstructure. Sulfur utilization is found to be strongly governed by the interplay between sulfur loading, residual porosity, and interfacial architecture. High sulfur contents result in buried, electrochemically isolated domains due to poor solid electrolyte (SE) percolation, while low sulfur contents trigger SE degradation via parasitic reactions. The resulting sulfur-porosity maps delineate the mechanistic boundaries between reversible and transport-limited regimes, offering actionable design guidance for SSLS cathodes with enhanced sulfur utilization.

electrode microstructure↗
DOE OSTI2017

A Fluorinated Ether Electrolyte Enabled High Performance Prelithiated Graphite/Sulfur Batteries

Lithium/sulfur (Li/S) batteries have attracted great attention as a promising energy storage technology, but so far their practical applications are greatly hindered by issues of polysulfide shuttling and unstable lithium/electrolyte interface. To address these issues, a feasible strategy is to construct a rechargeable prelithiated graphite/sulfur batteries. In this study, a fluorinated ether of bis(2,2,2-trifluoroethyl) ether (BTFE) was reported to blend with 1,3-dioxolane (DOL) for making a multifunctional electrolyte of 1.0 M LiTFSI DOL/BTFE (1:1, v/v) to enable high performance prelithiated graphite/S batteries. First, the electrolyte significantly reduces polysulfide solubility to suppress the deleterious polysulfide shuttling and thus improves capacity retention of sulfur cathodes. Second, thanks to the low viscosity and good wettability, the fluorinated electrolyte dramatically enhances the reaction kinetics and sulfur utilization of high-areal-loading sulfur cathodes. More importantly, this electrolyte forms a stable solid-electrolyte interphase (SEI) layer on graphite surface and thus enables remarkable cyclability of graphite anodes. Lastly, by coupling prelithiated graphite anodes with sulfur cathodes with high areal capacity of ~3 mAh cm -2 , we demonstrate prelithiated graphite/sulfur batteries that show high sulfur-specific capacity of ~1000 mAh g -1 and an excellent capacity retention of >65% after 450 cycles at C/10.

25 ENERGY STORAGE↗
DOE OSTI2024

Cohesive phase-field chemo-mechanical simulations of inter- and trans- granular fractures in polycrystalline NMC cathodes via image-based 3D reconstruction

The optimal design and durable utilization of lithium-ion batteries necessitates an objective modeling approach to understand fracture and failure mechanisms. This paper presents a comprehensive chemo-mechanical modeling study focused on elucidating fracture-induced damage and degradation phenomena in the polycrystalline Li $\mathcal{x}$ Ni 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) cathode. An innovative approach that utilizes image-based reconstructed 3D geometry as finite element (FE) mesh input is employed to enhance the precision in capturing the convoluted architecture and morphological features. For accurately representing the intricate crack configurations within the polycrystalline system, we adopted the cohesive phase-field fracture (CPF) model. Through the integration of advanced image-based geometry reconstruction technique and the promising CPF modeling approach, lithium (de)intercalation induced crack evolution (e.g., nucleation, propagation, branching and diverse modes including inter-/trans-(intra-) granular patterns) and the resulting chemical degradation can be precisely captured, which is also compared and validated with numerical predictions using a continuum damage model. In particular, this model predicts fracture induced degradation under varying fracture properties of grain boundaries and charging rates; the conclusion that NMC particles comprised of larger grains are predicted to have less degradation than those with smaller grains can also be drawn. This comprehensive analysis provides valuable insights into the fracture and degradation within polycrystalline NMC cathodes.

25 ENERGY STORAGE↗
DOE OSTI2022

Economic Analysis of Battery (NMC) Cathode Material Production in Flame Spray Process with Sustainable Solvents

To reduce the cathode material manufacturing cost, our lab has developed a flame spray process that utilize sustainable solvent glycerol as solvent to manufacture the cathode material. The economic analysis of the new green chemical process was studied based on discounted cash flow method. The major economic indicator used in this study is the minimum cathode material selling price (MCSP), whereas the co-precipitation method for NMC333 production was selected as the reference for economic analysis.

25 ENERGY STORAGE↗
DOE OSTI2017

Direct characterization of the Li intercalation mechanism into α-V 2 O 5 nanowires using in-situ transmission electron microscopy

The Li-V 2 O 5 system has been well studied electrochemically, but there is a lack of systematic in-situ studies involving direct investigations of the structural changes that accompany the lithiation process. The open-cell battery setup inside a transmission electron microscope is ideal for studying the reaction pathway of intercalation of Li + into nanowire cathodes. Here, in this work, we utilize in-situ transmission electron microscopy to study the Li-V 2 O 5 system. More specifically, we employ electron beam diffraction and electron energy-loss spectroscopy (EELS) in an open-cell battery setup to examine the phase changes within α-V 2 O 5 nanowire cathodes upon in-situ lithiation. Our results suggest that the pristine α-V 2 O 5 nanowire forms a Li oxide shell which then acts as a solid state electrolyte to conduct Li + ions, and the bulk of the V 2 O 5 nanowire undergoes transformation to the γ-Li 2 V 2 O 5 phase.

25 ENERGY STORAGE↗
DOE OSTI2023

Extracellular electron uptake from a cathode by the lactic acid bacterium Lactiplantibacillus plantarum

A subset of microorganisms that perform respiration can endogenously utilize insoluble electron donors, such as Fe(II) or a cathode, in a process called extracellular electron transfer (EET). However, it is unknown whether similar endogenous EET can be performed by primarily fermentative species like lactic acid bacteria. We report for the first time electron uptake from a cathode by Lactiplantibacillus plantarum, a primarily fermentative bacteria found in the gut of mammals and in fermented foods. L. plantarum consumed electrons from a cathode and coupled this oxidation to the reduction of both an endogenous organic (pyruvate) and an exogenous inorganic electron acceptor (nitrate). This electron uptake from a cathode reroutes glucose fermentation toward lactate degradation and provides cells with a higher viability upon sugar exhaustion. Moreover, the associated genes and cofactors indicate that this activity is mechanistically different from that one employed by lactic acid bacteria to reduce an anode and to perform respiration. Our results expand our knowledge of the diversity of electroactive species and of the metabolic and bioenergetic strategies used by lactic acid bacteria.

biocathode↗
DOE OSTI2020

A Thermodynamic Reassessment of Lithium-Ion Battery Cathode Calorimetry

This work demonstrates how staged heat release from layered metal oxide cathodes in the presence of organic electrolytes can be predicted from basic thermodynamic properties. These prediction methods for heat release are an advancement compared to typical modeling approaches for thermal runaway in lithium-ion batteries, which tend to rely exclusively on calorimetry measurements of battery components. These calculations generate useful new insights when compared to calorimetry measurements for lithium cobalt oxide (LCO) as well as the most common varieties of nickel manganese cobalt oxide (NMC) and nickel cobalt aluminum oxide (NCA). Accurate trends in heat release with varying state of charge are predicted for all of these cathode materials. These results suggest that thermodynamic calculations utilizing a recently published database of properties are broadly applicable for predicting decomposition behavior of layered metal oxide cathodes. Aspects of literature calorimetry measurements relevant to thermal runaway modeling are identified and classified as thermodynamic or kinetic effects. The calorimetry measurements reviewed in this work will be useful for development of a new generation of thermal runaway models targeting applications where accurate maximum cell temperatures are required to predict cascading cell-to-cell propagation rates.

25 ENERGY STORAGE↗
DOE OSTI2013

Time-and-space resolved comparison of plasma expansion velocities in high-power diodes with velvet cathodes

Time-and-space resolved comparison of the expansion velocities of plasmas in the planar diode with cathodes made of carbon velvet and polymer velvet has been performed. The diode was powered by a 200 kV, 110 ns pulse, and the peak current density was nearly 477 A/cm{sup 2}. A four-channel high speed framing camera (HSFC) was used to observe the formation and subsequent movement of the cathode plasmas. More accurate and valuable information about the two-dimensional (radial and axial) velocity components of the cathode plasmas was also acquired by utilizing the digital image processing methods. Additionally, the perveance model based on the Child-Langmuir law was used to calculate the expansion velocities of the diode plasmas from voltage and current profiles. Results from the two diagnostics were compared. Comparing the average values of the radial and axial velocity components indicated that the former was much larger than the latter during the initial period of the current. It was also found that the radial velocity of the carbon velvet cathode (190 cm/{mu}s) was much larger than that (90 cm/{mu}s) of the polymer velvet cathode. Moreover, the average values of both the radial and axial velocity components of the carbon velvet cathode were typically in the range of 2.5 {+-} 1.5 cm/{mu}s, which were smaller than that of the polymer velvet cathode during the current flattop. These results, together with the comparison of calculated values from the perveance model, indicated that the diode with carbon velvet cathode was more robust as compared with the polymer velvet cathode for the same electron current densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗