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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Trioxane: A Fuel For Direct-Oxidation Fuel Cells

Trioxane identified as high-energy, nontoxic, solid substitute for formaldehyde as water-soluble fuel for use in direct-oxidation fuel cells. Found to undergo facile electrochemical oxidation to water and carbon dioxide at platinum and platinum-alloy electrodes in liquid-feed-type fuel cells that contain acid electrolytes or solid proton-exchange membrane electrolytes. Exhibits less crossover than do such conventional fuels as methanol and formaldehyde. Being solid at ambient temperature, trioxane offers significant advantages in handling and transportation. Synthesized from natural gas with relative ease.

Olah, George A.↗
NASA NTRS1987

Polyphase alloys as rechargeable electrodes in advanced battery systems

The rechargeability of electrochemical cells is often limited by negative electrode problems. These may include loss of capacity, increased impedance, macroscopic shape change, dendrite growth, or a tendency for filamentary or whisker growth. In principle, these problems can be reduced or eliminated by the use of alloys that undergo either displacement or insertion reactions at reactant species activities less than unity, rather than pure elements. The fundamental reasons for some of these problems with elemental electrodes, as well as the basic principles involved in the different behavior of alloys, are briefly discussed. More information is now available concerning the thermodynamic and kinetic properties of a number of alloys of potential interest for use as electrodes in elevated temperature lithium battery systems. Recent results have extended these results down to ambient temperatures, indicating that some such materials may be of interest for use with new low temperature molten salt electrolytes, or with organic solvent electrolytes. The all solid mixed conductor matrix concept is also reviewed.

Huggins, Robert A.↗
DOE OSTI2024

Modeling Analysis of Ball-Milling Process for Battery-Electrode Synthesis

The mechanical alloying process is a promising method for synthesizing electrode materials for batteries owing to its benefits such as the ability to produce nanostructured, high-performing electrode alloys, no adverse effects on the solid electrolyte for solid-state batteries, stable production of thick electrodes, simple processing steps, and low processing costs. It is gaining intensive attention in the battery industry as one of the best methods to replace the conventional wet-slurry-solvent method, and its application is rapidly increasing these days. However, the operation is currently conducted purely based on trial-and-error methods without fully utilizing the features of its functions. Here, this may be attributed to a lack of understanding of the effect of operating parameters on the alloying process and final products. Surprisingly, there is a scarcity of the literature conducting fundamental research to comprehend the underlying physics of the entire mechanical alloying process, resulting in a significant knowledge gap. To address this knowledge gap, extensive research was conducted. The existing literature on mechanical alloying was reviewed to comprehend the current state of understanding and to discuss the direction for future research. Mathematical expressions were developed to create physics-based models capable of capturing the entire mechanical alloying process, including milling kinetics and defect-enhanced phase evolution. These methods were then applied to investigate the impact of operating parameters such as milling frequency, initial mole ratio of the alloyed materials, density of grinding balls, and energy required for the powders to become amorphous (i.e., the amorphization energy threshold). This research aimed not only to comprehend the direct effects of these operating parameters but also to unveil the physics underlying the ball-milling process. The results of our study can serve as crucial information for the battery industry in designing or operating the ball-milling process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Study of localized corrosion in aluminum alloys by the scanning reference electrode technique

Localized corrosion in 2219-T87 aluminum (Al) alloy, 2195 aluminum-lithium (Al-Li) alloy, and welded 2195 Al-Li alloy (4043 filler) have been investigated using the relatively new scanning reference electrode technique (SRET). Anodic sites are more frequent and of greater strength in the 2195 Al-Li alloy than in the 2219-T87 Al alloy, indicating a greater tendency toward pitting for the latter. However, the overall corrosion rates are about the same for these two alloys, as determined using the polarization resistance technique. In the welded 2195 Al-Li alloy, the weld bean is entirely cathodic, with rather strongly anodic heat affected zones (HAZ) bordering both sides, indicating a high probability of corrosion in the HAZ parallel to the weld bead.

Danford, M. D.↗
DOE OSTI2024

Cathodic Decomposition Electrodes as Standard Reference Electrodes for Molten Salts: Example of the Lithium Eutectic Electrode for the LiCl-KCl Eutectic

Alternatives to the widely-used standard anodic decomposition reference electrodes in molten salts are necessary to enable more easily reproduced thermochemical and electrochemical data in molten salt electrolytes. The class of standard reference electrodes called cathodic decomposition electrodes (CDEs) are easily constructed and can be used to make thermochemical measurements in molten salts more directly compared to anodic decomposition electrodes. The lithium eutectic electrode (LEE) was chosen as a sample test case for validation and was applied to thermochemical measurements of electroactive species in molten LiCl-KCl eutectic. Transient measurements were made to measure the Li + /Li reduction potential at zero current in pure LiCl-KCl eutectic relative to a Li-alloy reference electrode to validate the reference potential of the LEE. Literature-reported electromotive force measurements against Li-alloy reference electrodes were used to generate a relationship between the LEE and the standard chlorine electrode and this relationship was used to evaluate measured and reported formal potential measurements for the LiCl-KCl-GdCl 3 system. This work demonstrates the general framework for defining CDEs for any molten salt system and a method for calibrating external reference electrodes against a CDE standard reference electrode, improving the ease of obtaining thermochemical and electrochemical measurements in any molten salt system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

High tensile alloy of copper to mitigate current collector deformation in silicon electrodes for lithium-ion batteries

The volumetric changes of silicon electrodes, along with the strong adhesive properties of certain binders, can lead to plastic deformation of the current collector and create damage in the electrode coating. Here, in this study, we report a detailed study of silicon coatings on a high-tensile alloy (HTA) foil of copper with strength over twice that of conventional copper foils. The HTA current collectors with high mechanical strength can mitigate plastic deformation upon continuous cycling. At moderate areal capacities (2.5–3 mAh cm −2 ), conventional copper foils show significant wrinkling after only a few electrochemical cycles, whereas the HTA foils remain intact. We demonstrate viability of the HTA foils in large format xx6395 pouch cells, in which the HTA current collectors remain intact even at an areal capacity of 4.5 mAh cm −2 ; in contrast, wrinkles form in conventional copper current collectors increasing the likelihood of lithium plating. Computational studies show that stresses generated during cycling of silicon electrodes are very high in the current collector and at the current collector-coating interface, explaining the wrinkling of conventional Cu foils. Our studies highlight importance of current collector to solve the electrochemical and chemo-mechanical performance challenges associated with high-loading silicon electrodes.

Chemo-mechanical degradation↗
NASA NTRS1995

Studies of localized corrosion in welded aluminum alloys by the scanning reference electrode technique

Localized corrosion in welded samples of 2219-T87 Al alloy (2319 filler), 2090 Al-Li alloy (4043 and 2319 fillers), and 2195 Al-Li alloy (4043 and 2319 fillers) has been investigated using the relatively new scanning reference electrode technique. The weld beads are cathodic in all cases, leading to reduced anode/cathode ratios. A reduction in anode/cathode ratio leads to an increase in the corrosion rates of the welded metals, in agreement with results obtained in previous electrochemical and stress corrosion studies involving the overall corrosion rates of welded samples. The cathodic weld beads are bordered on both sides by strong anodic regions, with high propensity for corrosion.

Danford, M. D.↗
DOE OSTI2025

Direct Prelithiation of Silicon-Based Composite Electrodes via Island-like Thermal Evaporation

Irreversible losses of Li during solid electrolyte interface (SEI) conditioning is a key contributor to the lower specific capacities observed in silicon-containing Li-ion batteries. Herein, thermal evaporation of between 1 and 20 µm of Li onto Si-based composite anodes has been investigated as a prelithiation method to account for such losses. To account for mechanical strain caused by Li-Si alloying during the deposition, a stainless-steel mesh is applied to the electrodes before prelithiation to form “island-like” deposition on the electrode surface. The open circuit potential was also found to decrease as a function of increased Li evaporation, consistent with the potentials of electrochemically prepared LixSi alloys. Prelithiating to account for irreversible Li losses to SEI formation resulted in full cells with a 15.8% increase in initial coulombic efficiency and a 47.8% reduction in irreversible capacity loss after SEI formation cycling. Subsequent C/3 cycling showed up to a 62.9% increase in specific capacity in prelithiated cells. X-ray photoelectron spectroscopy (XPS) revealed differences in the SEI composition that was formed by electrochemical cycling and reactively formed in prelithiated cells upon exposure to Gen2 + 3% FEC electrolyte. The reactively formed SEI from the spontaneous reaction with lithiated silicon was carbonate-rich while the electrochemical SEI formation showed significantly more LiPFx species, which could play a role in overall cycling performance.

Musgrove, Amanda↗
DOE OSTI2026

Quasi-In-Situ Analysis of Electrode Top Atomic Layers via High-Sensitivity Low-Energy Ion Scattering and Potential-Controlled Sample Transfer

Electrocatalytic reactions involve interfacial interactions between the surfaces of electrodes and reactive species at an electrolyte interface. There are presently no universal or unambiguous methods to directly assay the active top atomic layer composition that influences the reactivity of these electrodes under relevant operating conditions. Low-energy ion scattering (LEIS) spectroscopy is a surface characterization technique that yields compositional analysis of the outermost atomic layer of a material, but it must be performed in ultrahigh vacuum (UHV). Application of LEIS measurements to electrochemical materials that are removed from ambient liquid-phase environments thus leaves an open question as to whether the surface that is transferred to UHV is truly the surface that manifested during the electrochemical reaction. Toward the goal of preserving the active surface state, we developed a sample transfer workflow for LEIS enabling air-free removal and drying of an electrode from an electrochemical cell while maintaining control of the potential using an auxiliary electrode. The potential-controlled emersion method was demonstrated to give distinct potential-dependent surface compositions for a Cu−Pd alloy relative to removal after uncontrolled return to open-circuit potential. A Cu-enriched surface was found at anodic potential and a Pd-enriched surface at cathodic potential, suggesting that the approach can be used to retain representative atomic configurations during transfer. Since adsorbates will often persist from the reaction environment, conventional sample pretreatment methods for removal, including atomic O and atomic H exposure, were also contrasted. Both methods were found to differ with results from incidental low-dose depth profiling by the LEIS primary ion source, which removes adventitious species and surface atoms during the course of repeated measurements. These depth profiles were found to be sensitive to sample history and thus qualitatively informative, despite the possible changes induced by ion damage. The results exhibit (i) the need for complete control over the polarization state of the sample at all times (no excursions to open circuit during transfer) and (ii) the utility of low-dose depth profiling to capture changes in the near-surface composition.

Alloys↗
DOE OSTI2023

Electrochemical properties of Gd(III) ions in LiCl-KCl-GdCl 3 at 723–1023 K

Electrochemical behavior of Gd(III) ions in molten LiCl-KCl-GdCl 3 was investigated at 723–1023 K via cyclic voltammetry using tungsten as a working electrode, Gd-Bi (mole fraction, x Gd = 0.16) as a reference electrode, and Gd-Bi (x Gd = 0.02) as a counter electrode. A single reduction–oxidation wave was observed, confirming a single-step, 3-electron transfer Gd(III)/Gd transition. The cathodic peak potential exhibited minimal change (<13 mV) over a wide range of scan rates (0.05–0.30 V s –1 ), indicating facile charge transfer kinetics (i.e., a reversible electrode process). A nucleation overpotential associated with solid Gd deposition was observable at low temperatures (T < 823 K). The mass transport properties of Gd(III) ions were estimated using the Berzins and Delahay relation based on diffusion-limiting peak current. The diffusivity values were determined to be D Gd(III) = 0.5–2.7 × 10 –5 cm 2 s –1 at 723–1023 K with an associated activation energy of E a = 33.9 (±1.0) kJ mol –1 . Finally, the two-phase [liquid + GdBi] Gd-Bi alloy reference electrode experienced less than 0.5 mV of drift over 5 days of repeated electrochemical measurements, indicating high stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Spectral Performance of Multilayer Amorphous Selenium and Selenium–Tellurium Photodetectors

The ability to robustly and with scalability detect single photons in the visible spectrum with wavelength resolution would transform many imaging applications. Theoretical studies propose an array of carbon nanotubes (CNTs) functionalized with semiconductor quantum dots (QDs) as a physical realization of such photon sensors. In this work, we report approaches to synthesize these CNT-QD nanostructures using DNA as a smart glue to connect CNTs to QDs.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Improved solid-state triode construction

Triode is constructed from rectangular filament made of near-intrinsic n-type silicon. Collector and emitter are formed on opposite faces of filament and are spaced approximately 0.13 mm apart. Gate electrodes are alloyed to filament and extend longitudinally along midsection of other two opposite sides, approximately 0.06 mm apart.

Shumka, A.↗