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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Exploring interfacial stability of solid-state electrolytes at the lithium-metal anode surface

Solid state electrolytes are promising materials to mitigate the issues derived from the extreme reactivity of the lithium metal anodes in Li-metal batteries. The main properties sought for this application are high ionic conductivity, low electronic conductivity, and high interfacial stability. Here we investigate a class of sulfides (Li 10 GeP 2 S 12 , Li2P2S6, β-Li 3 PS 4 , and Li 7 P 3 S 11 ) that have shown relatively good ionic conductivities. However, little is known regarding their interfacial stability. We use density functional theory and ab initio molecular dynamics simulations to investigate the time evolution of the interfacial structure. We characterize atomic diffusion and reactions happening at the picosecond time scale, allowing us to identify the main interfacial products: Li 2 S, Li 3 P and Li 17 Ge 4 . We then study how the reactivity changes when the Li metal surface is coated with a thin film of Li 2 S.

25 ENERGY STORAGE↗
DOE OSTI2022

Mechanistic Elucidation of Electronically Conductive PEDOT:PSS Tailored Binder for a Potassium‐Ion Battery Graphite Anode: Electrochemical, Mechanical, and Thermal Safety Aspects

Potassium-ion batteries (KIBs) are considered more appropriate for grid-scale storage than lithium-ion batteries (LIBs) due to similar operating chemistry, abundant precursors, and compatibility with low-cost graphite anodes. However, a larger ion reduces rate capabilities and exacerbates capacity fading from volumetric expansion. In this report, conductive polymer, poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS), is substituted for standard insulating polyvinylidene fluoride (PVDF). Half-cells using carbon black (CB) in continuously conductive PEDOT:PSS/CB binder outperforms PVDF/CB by mitigating electrically isolated “dead” graphite, improving 100 cycle capacity retention at C/10 from 63 to 80%. Enhanced electrical contact with PEDOT:PSS/CB also reduces ion impedance and improves rate capabilities. Without CB however, PEDOT:PSS binder performs poorly in electrochemical studies despite promising ex situ electronic conductivity. This discrepancy is mechanistically elucidated through identification of redox activity between PEDOT:PSS and K + which results in high impedances in the anode operating voltage window. Additionally, the impact of conducting binder on mechanical properties and thermal safety of the anode is investigated. Brittleness and poor wettability of PEDOT:PSS are identified as issues, but greater stability against reactive KC 8 reduces overall heat generation. Binder substitution offers a promising means of mitigating issues with current KIB anodes regardless of active material, and the work herein addresses issues towards further improvement.

electrochemical impedance spectroscopy↗
NASA NTRS2001

Effects of Surface Oxygen on the Performance of Carbon as an Anode in Lithium-Ion Batteries

Carbon materials with similar bulk structure but different surface oxygen were compared for their performance as anodes in lithium-ion battery. The bulk structure was such that the graphene planes were perpendicular to the surface. Three types of surfaces were examined: surface containing C=O type oxygen. surface containing -O-C type oxygen, and surface containing high concentration of active sites. The test involved cycles of lithium insertion into and release from the carbon materials, which was in the half cells of carbon/saturated LiI-50/50 (vol %) EC and DMC/lithium. During the first cycle of lithium insertion, the presence of adsorbed oxygen, -O-C type oxygen, active carbon sites, and C=O type oxygen resulted in the formation of solid-electrolyte interface (SEI) when the carbon's voltage relative to lithium metal was >1.35, 1 to 1.35, 0.5 to 1, and 0.67 to 0.7 V, respectively. An optimum -O-C type oxygen and a minimum C=O type oxygen was found to increase the reversible and decrease the irreversible capacity of carbon. Active sites on the carbon surface result in a large irreversible capacity and a second lithium insertion-release mechanism. However, this new mechanism has a short cycle life.

Hung, Ching-Cheh↗
DOE OSTI2019

Corrosion of 907 Steel Influenced by Sulfate-Reducing Bacteria

The effect of sulfate-reducing bacteria (SRB) on the corrosion of 907 steel was investigated. Results demonstrated that the chemical composition of corrosion products, the corrosion rate, and corrosion type were altered due to the adherence of SRB and the subsequent formation of biofilm on the 907 steel surface. Different from the case in sterile medium that ferrous oxides predominated in the corrosion products, ferrous sulfide was an important component in SRB-containing medium. Meanwhile, corrosion of 907 steel was enhanced by SRB, and the corrosion rate was dependent on their metabolic activity, which increased, stabilized, and decreased in the exponential growth, death, and residual phases, respectively. Furthermore, the corrosion type was changed from uniform corrosion to localized corrosion with the introduction of SRB, and the development process was analyzed based on the current distribution map of wire beam electrodes. In sterile medium, the maximum current density decreased with the immersion time extended, and there were no significant anodic current peaks in the late period, while in SRB-containing medium, the ratio between cathodic areas and anodic areas was high in the exponential growth phase, and stable anodic sites formed gradually in death and residual phases, which facilitated the development of localized corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanical Properties and Chemical Reactivity of Li x SiO y Thin Films

Silicon (Si) is a commonly studied candidate material for next-generation anodes in Li-ion batteries. A native oxide SiO 2 on Si is often inevitable. However, it is not clear if this layer has a positive or negative effect on the battery performance. This understanding is complicated by the lack of knowledge about the physical properties of the SiO 2 lithiation products and by the convolution of chemical and electrochemical effects during the anode lithiation process. In this study, Li x SiO y thin films as model materials for lithiated SiO 2 were deposited by magnetron sputtering at ambient temperature, with the goal of (1) decoupling chemical reactivity from electrochemical reactivity and (2) evaluating the physical and electrochemical properties of Li x SiO y . X-ray photoemission spectroscopy analysis of the deposited thin films demonstrate that a composition close to previous experimental reports of lithiated native SiO 2 can be achieved through sputtering. Our density functional theory calculations also confirm that the possible phases formed by lithiating SiO 2 are very close to the measured film compositions. Scanning probe microscopy measurements show that the mechanical properties of the film are strongly dependent on lithium concentration, with a ductile behavior at a higher Li content and a brittle behavior at a lower Li content. The chemical reactivity of the thin films was investigated by measuring the AC impedance evolution, suggesting that Li x SiO y continuously reacts with the electrolyte, in part because of the high electronic conductivity of the film determined from solid-state impedance measurements. The electrochemical cycling data of the sputter-deposited Li x SiO y /Si films also suggest that Li x SiO y is not beneficial in stabilizing the Si anode surface during battery operation, despite its favorable mechanical properties.

14 SOLAR ENERGY↗
DOE OSTI2015

Porosity-dependent fractal nature of the porous silicon surface

Porous silicon films with porosity ranging from 42% to 77% were fabricated by electrochemical anodization under different current density. We used atomic force microscopy and dynamic scaling theory for deriving the surface roughness profile and processing the topography of the porous silicon layers, respectively. We first compared the topography of bare silicon surface with porous silicon and then studied the effect of the porosity of porous silicon films on their scaling behavior by using their self-affinity nature. Our work demonstrated that silicon compared to the porous silicon films has the highest Hurst parameter, indicating that the formation of porous layer due to the anodization etching of silicon surface leads to an increase of its roughness. Fractal analysis revealed that the evolution of the nanocrystallites’ fractal dimension along with porosity. Also, we found that both interface width and Hurst parameter are affected by the increase of porosity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Electrosynthesis of Ti{sub 5}Si{sub 3}, Ti{sub 5}Si{sub 3}/TiC, and Ti{sub 5}Si{sub 3}/Ti{sub 3}SiC{sub 2} from Ti-Bearing Blast Furnace Slag in Molten CaCl{sub 2}

Ti{sub 5}Si{sub 3}, Ti{sub 5}Si{sub 3}/TiC, and Ti{sub 5}Si{sub 3}/Ti{sub 3}SiC{sub 2} have been electrochemically synthesized from the Ti-bearing blast furnace slag/TiO{sub 2} and/or C mixture precursors at a cell voltage of 3.8 V and 1223 K to 1273 K (950 °C to 1000 °C) in molten CaCl{sub 2}. The pressed porous mixture pellets were used as the cathode, and a solid oxide oxygen-ion-conducting membrane (SOM)-based anode was used as the anode. The phase composition and morphologies of the cathodic products were systematically characterized. The final products possess a porous nodular microstructure due to the interconnection of particles. The variations of impurity elements, i.e., Ca, Mg, and Al, have been analyzed, and the result shows that Ca and Mg can be almost completely removed; however, Al cannot be easily removed from the pellet due to the formation of Ti-Al alloys during the electroreduction process. The electroreduction process has also been investigated by the layer-depended phase composition analysis of the dipped/partially reduced pellets to understand the detailed reaction process. The results indicate that the electroreduction process of the Ti-bearing blast furnace slag/TiO{sub 2} and/or C mixture precursors can be typically divided into four periods, i.e., (i) the decomposition of initial Ca(Mg,Al)(Si,Al){sub 2}O{sub 6}, (ii) the reduction of Ti/Si-containing intermediate phases, (iii) the removal of impurity elements, and (iv) the formation of Ti{sub 5}Si{sub 3}, TiC, and Ti{sub 3}SiC{sub 2}. It is suggested that the SOM-based anode process has great potential to be used for the direct and facile preparation of Ti alloys and composites from cheap Ti-containing ores.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High Voltage Operation of Ni-Rich NMC Cathodes Enabled by Stable Electrode/Electrolyte Interphases

Lithium (Li) metal battery (LMB) is one of the most promising candidates for the next generation energy storage systems. However, it is still a significant challenge to operate LMBs with high voltage cathode under high rate conditions. In this work, a LMB using nickel-rich layered cathode of LiNi0.76Mn0.14Co0.10O2 (NMC76) and an optimized electrolyte (0.6 M LiTFSI + 0.4 M LiBOB + 0.05 M LiPF6 dissolved in EC: EMC (4:6 by weight)) demonstrate excellent stability under a high charge cutoff voltage of 4.5 V. Remarkably, these Li||NMC76 cells can deliver a high discharge capacity of > 220 mAh g-1 (846 Wh kg-1) and retain more than 80% capacity after 1000 cycles under a high charge/discharge current rates of 2C/2C (1C = 200 mA g-1). These excellent electrochemical performances can be attributed to the highly enhanced structural/interfacial stability of both Ni-rich NMC76 cathode materials and Li metal anode using the optimized electrolyte.

Ni-rich NMC, cathode electrolyte interphase, dual ↗
DOE OSTI2013

Microstructure degradation of YSZ in Ni/YSZ anodes of SOFC operated in phosphine-containing fuels

The interaction of trace (ppm) phosphine with the nickel/yttria stabilized zirconia (YSZ) anode of commercial solid oxide fuel cells has been investigated and evaluated for both synthesis gas and hydrogen fuels in an effort to examine P–Y reactions. The Ni poisoning effects reported in literature were confirmed and degradation was examined by electrochemical methods and post-test microstructural and chemical analyses. The results indicate that P-induced degradation rates and mechanisms are fuel dependent and that degradation of cells operated in synthesis gas (syngas) with phosphine is more severe than that of cells operated in hydrogen with phosphine. As reported in published literature, a cell operated in syngas containing 10 ppm phosphine demonstrated significant microstructural degradation within the Ni phase, including formation of Ni–P phases concentrated on the outer layer of the anode and significant pitting corrosion in the Ni grains. In this research, a previously undetected YPO{sub 4} phase is observed at the YSZ/YSZ/Ni triple grain junctions located at the interface with the YSZ electrolyte. Tetragonal YSZ (t-YSZ) and cubic-YSZ (c-YSZ) domains with sizes of several tens of nanometers are also newly observed along the Ni/YSZ interface. These observations contrast with data obtained for a cell operated in dry hydrogen with phosphine, where no YPO{sub 4} phase is observed and the alternating t-YSZ and c-YSZ domains at the Ni/YSZ interface are smaller with typical sizes of 5–10 nm. The data imply that electrolyte attack by P is a potentially debilitating mode of degradation in SOFC anodes, and that the associated reaction mechanisms and rates are worthy of further examination.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Effects of sulfur loading on the corrosion behaviors of metal lithium anode in lithium–sulfur batteries

Highlights: • The effects of sulfur loading on the corrosion behaviors were investigated systematically. • The corrosion became severer with increasing sulfur loading or cycle times. • The corrosion films are porous and loose and cannot prevent further reaction between lithium and polysulfides. - Abstract: The corrosion behaviors in rechargeable lithium–sulfur batteries come from the reactions between polysulfides and metal lithium anode, and they are significantly influenced by the sulfur loading. While there are limited papers reported on the effects of sulfur loading on the corrosion behaviors. In this paper, the effects have been investigated systematically. The corrosion films consisted of insulating lithium ion conductors are loose and porous, so that the corrosive reactions cannot be hindered. The thickness of the corrosion layers, consequently, increased along with increasing sulfur loading or cycle times. For instance, the thickness of corrosion layers after 50 cycles was 98 μm in the cell with 5 mg sulfur while it reached up to 518 μm when the loading increased to 15 mg. The continuous deposition of corrosion products gave rise to low active materials utilization and poor cycling performance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Exceptional energy and new insight with a sodium–selenium battery based on a carbon nanosheet cathode and a pseudographite anode

We created a unique sodium ion battery (NIB, SIB) cathode based on selenium in cellulose-derived carbon nanosheets (CCNs), termed Se-CCN. The elastically compliant two-dimensional CCN host incorporates a high mass loading of amorphous Se (53 wt%), which is primarily impregnated into 1 cm 3 g -1 nanopores. The results in facile sodiation kinetics due to short solid-state diffusion distances and a large charge transfer area of the nanosheets were established. The architecture also leads to an intrinsic resistance to polyselenide shuttle and to disintegration/coarsening. As a Na half-cell, the Se-CCN cathode delivers a reversible capacity of 613 mA h g -1 with 88% retention over 500 cycles. The exceptional stability is achieved by using a standard electrolyte (1 M NaClO4 EC-DMC) without secondary additives or high salt concentrations. The rate capability is also superb, achieving 300 mA h g -1 at 10C. Compared to recent state-of-the-art literature, the Se-CCN is the most cyclically stable and offers the highest rate performance. As a Se–Na battery, the system achieves 992 W h kg -1 at 68 W kg -1 and 384 W h kg -1 at 10144 W kg -1 (by active mass in a cathode). We are the first to fabricate and test a Se-based full NIB, which is based on Se-CCN coupled to a Na intercalating pseudographitic carbon (PGC) anode. It is demonstrated that the PGC anode increases its structural order in addition to dilating as a result of Na intercalation at voltages below 0.2 V vs. Na/Na+. The {110} Na reflections are distinctly absent from the XRD patterns of PGC sodiated down to 0.001 V, indicating that the Na metal pore filling is not significant for pseudographitic carbons. Lastly, the battery delivers highly promising Ragone chart characteristics, for example yielding 203 and 50 W h kg -1 at 70 and 14 000 W kg -1 (via total material mass in the anode and cathode).

25 ENERGY STORAGE↗
DOE OSTI2021

Anodization Compatibility of Eutectic Aluminum–Cerium Alloys

Anodizing is the most common method for producing corrosion resistant layer coatings for aluminum alloys. It is possible to use anodizing with most commercial aluminum alloys to increase material corrosion resistance, but often the brittle, passive oxide layer formed during anodization does not adhere well to the material, reducing effectiveness, and overall compatibility. Therefore, it is important for the compatibility and effect of anodization to be studied for any newly developed alloys. Recently developed eutectic Al–Ce alloys offer advantages like high castability, limited or no heat treatment requirements, and high-temperature strength retention. In this work, Al–Ce alloys are shown to have good compatibility with current processes and may exhibit improved adhesion of passivated layer because intermetallic phases anchor the anodized product to unconverted bulk. The source of these phenomena and their effect on material corrosion and layer adhesion properties of Al–Ce alloys will be discussed and compared with results from common commercial aluminum alloys.

Sims, Zachary↗
DOE OSTI2024

Comprehensive evaluation of commercially scalable atomic-layer-deposited alumina coating impact on full cell battery performance across varied test conditions

Atomic Layer Deposition (ALD) has emerged as a strategic enhancement method for lithium-ion battery (LIB) materials offering potential benefits and durability benefits for industrial battery production. However, the translation from laboratory achievements to commercial-scale applications has been limited. Here, this study aims to bridge this gap by comprehensively evaluating the effects of commercially scalable Al 2 O 3 ALD coatings using full pouch cell performance as a means to assess the ALD impact. We utilized large-scale slot-die coating techniques to ensure consistent electrode quality and tested four configurations of pouch cells to analyze the individual effects of ALD coating on anode and cathode electroactive materials. Our extensive testing matrix included long-term cycling, fast discharge, fast charge, leakage current, and high voltage tests. While at lower C-rates (<~1C), the influence of Al 2 O 3 coatings on cell performance is not significant. Fast charging conditions reveal that the anode ALD coating significantly enhances performance via a passivating effect, while on the cathode, it is detrimental, potentially due to increased resistance of the thin interfacial layer formed during the ALD processing. Leakage current and high-voltage tests show that the application of ALD coatings on either anode or cathode effectively minimizes side reactions at the electrode-electrolyte interface. Additionally, ALD coatings significantly mitigate concentrated and localized lithium plating on the anodes. These insights provide a valuable understanding of the potential of ALD technologies in LIB manufacturing to tailor cell performance, paving the way for safer, more efficient, and cost-effective battery solutions.

25 ENERGY STORAGE↗
DOE OSTI2015

Electrorefiner system for recovering purified metal from impure nuclear feed material

An electrorefiner system according to a non-limiting embodiment of the present invention may include a vessel configured to maintain a molten salt electrolyte and configured to receive a plurality of alternately arranged cathode and anode assemblies. The anode assemblies are configured to hold an impure nuclear feed material. Upon application of the power system, the impure nuclear feed material is anodically dissolved and a purified metal is deposited on the cathode rods of the cathode assemblies. A scraper is configured to dislodge the purified metal deposited on the cathode rods. A conveyor system is disposed at a bottom of the vessel and configured to remove the dislodged purified metal from the vessel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2004

Thermal characteristics of Lithium-ion batteries

Lithium-ion batteries have a very promising future for space applications. Currently they are being used on a few GEO satellites, and were used on the two recent Mars rovers Spirit and Opportunity. There are still problem that exist that need to be addressed before these batteries can fully take flight. One of the problems is that the cycle life of these batteries needs to be increased. battery. Research is being focused on the chemistry of the materials inside the battery. This includes the anode, cathode, and the cell electrolyte solution. These components can undergo unwanted chemical reactions inside the cell that deteriorate the materials of the battery. During discharge/ charge cycles there is heat dissipated in the cell, and the battery heats up and its temperature increases. An increase in temperature can speed up any unwanted reactions in the cell. Exothermic reactions cause the temperature to increase; therefore increasing the reaction rate will cause the increase of the temperature inside the cell to occur at a faster rate. If the temperature gets too high thermal runaway will occur, and the cell can explode. The material that separates the electrode from the electrolyte is a non-conducting polymer. At high temperatures the separator will melt and the battery will be destroyed. The separator also contains small pores that allow lithium ions to diffuse through during charge and discharge. High temperatures can cause these pores to close up, permanently damaging the cell. My job at NASA Glenn research center this summer will be to perform thermal characterization tests on an 18650 type lithium-ion battery. High temperatures cause the chemicals inside lithium ion batteries to spontaneously react with each other. My task is to conduct experiments to determine the temperature that the reaction takes place at, what components in the cell are reacting and the mechanism of the reaction. The experiments will be conducted using an accelerating rate calorimeter (ARC), which uses a heat-wait-search mode until an exothermic reaction is detected. After an exotherm is found the calorimeter maintains an adiabatic environment around a bomb which holds the test sample. The ARC will help identify important reactions and what temperature these exothermic reactions take place at. In order fully understand the battery, we are first going to take apart the battery and test the individual components of the battery using the ARC. I will first conduct a test on the electrolyte solution by itself. We will then test the electrolyte solution with the anode. We would like to see how the electrolyte solution reacts with the anode and its binder material. The next would be the same test using the cathode instead of the anode. By comparing the results of the electrolyte, electrolyte with anode, and the electrolyte with the cathode we can determine the reactions that are taking place due to each component. Using the heat capacity of the each individual sample and the temperature by which the sample increases, kinetic and thermo-dynamical information can then be found. A Gas chromatograph could be used to help with the task of identifying the by-products at the end of each test. One way of increasing the cycle life is to increase the stability of the materials inside the

Hauser, Dan↗
DOE OSTI2019

AZ61 and AZ61-La Alloys as Anodes for Mg-Air Battery

AZ61 and AZ61-0.5La (wt.%) alloys are prepared by the conventional casting method and then, AZ61 and AZ61-0.5La alloy sheets are obtained with multi-pass hot rolling. Microstructures and electrochemical properties of four alloys are investigated, and discharge properties are tested by an assembled Mg-air battery using alloy anode sheets with a dimension of 70 × 100 × 2.5 mm. Results show that Al{sub 11}La{sub 3} phases are formed in as-cast AZ61-0.5La alloy and promote the grain refinement and the formation of uniform microstructure in as-rolled AZ61-0.5La alloy. As-rolled AZ61-0.5La alloy exhibits a weak self-corrosion tendency but a strong discharge activity. After discharge test for 5 h, the Mg-air battery based on the as-rolled AZ61-0.5La sheet can provide the maximum power output of 1.625 W, and as-rolled AZ61-0.5La anode can supply the maximum energy density of 1417 mWhg{sup −1}. In addition, the relationship between microstructures and discharge properties is sufficiently described and discussed in this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Rechargeable Zinc Alkaline Anodes for Long-Cycle Energy Storage

Zinc alkaline anodes command significant share of consumer battery markets and are a key technology for the emerging grid-scale battery market. Improved understanding of this electrode is required for long-cycle deployments at kWh and MWh scale due to strict requirements on performance, cost, and safety. For this article, we give a modern literature survey of zinc alkaline anodes with levelized performance metrics and also present an experimental assessment of leading formulations. Long-cycle materials characterization, performance metrics, and failure analysis are reported for over 25 unique anode formulations with up to 1500 cycles and ~1.5 years of shelf life per test. Statistical repeatability of these measurements is made for a baseline design (fewest additives) via 15 duplicates. Baseline design capacity density is 38 mAh per mL of anode volume, and lifetime throughput is 72 Ah per mL of anode volume. We then report identical measurements for anodes with improved material properties via additives and other perturbations, some of which achieve capacity density over 192 mAh per mL of anode volume and lifetime throughput of 190 Ah per mL of anode volume. Novel in operando X-ray microscopy of a cycling zinc paste anode reveals the formation of a nanoscale zinc material that cycles electrochemically and replaces the original anode structure over long-cycle life. Ex situ elemental mapping and other materials characterization suggest that the key physical processes are hydrogen evolution reaction (HER), growth of zinc oxide nanoscale material, concentration deficits of OH – and ZnOH 4 2– , and electrodeposition of Zn growths outside and through separator membranes.

25 ENERGY STORAGE↗