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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

The use of low-energy SIMS (LE-SIMS) for nanoscale fuel cell material development

Low-energy secondary ion mass spectrometry has been used to investigate the matrix structure and interface attributes of a novel Ce0.85Sm0.15O2/CeO2 multilayer fuel cell material. Nanoscale oxide systems have shown enhanced ionic conductivities when produced to form highly oriented epitaxial structures. The Sm-doped CeO2 material system is of particular interest for fuel cell technology because of its inherently high ionic conductivity at low operating temperatures (600-800 C). For this study, a nanometer-scale Ce0.85Sm0.15O2/CeO2 multilayer was grown by pulsed laser deposition. The sample was annealed at 700 C in an oxygen ambience. High-resolution, low-energy depth profiling using Cs revealed some diffusion of the multilayer structure after annealing, along with a possible volume change for the Sm-doped layers. Changes in layer volume will lead to an increase in the mechanical strain and may cause the material to crack. The findings presented here suggest that the Ce0.85Sm0.15O2/CeO2 multilayer structure in its current form may not possess the level of thermal stability required for use within a fuel cell environment.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2012

Layered YSZ/SCSZ/YSZ Electrolytes for Intermediate Temperature SOFC Part I: Design and Manufacturing

(Sc2O3)0.1(CeO2)0.01(ZrO2)0.89 (SCSZ) ceramic electrolyte has superior ionic conductivity in the intermediate temperature range (700 800 C), but it does not exhibit good phase and chemical stability in comparison with 8 mol% Y2O3 ZrO2 (YSZ). To maintain high ionic conductivity and improve the stability in the whole electrolyte, layered structures with YSZ outer layers and SCSZ inner layers were designed. Because of a mismatch of coefficients of thermal expansion and Young's moduli of SCSZ and YSZ phases, upon cooling of the electrolytes after sintering, thermal residual stresses will arise, leading to a possible strengthening of the layered composite and, therefore, an increase in the reliability of the electrolyte. Laminated electrolytes with three, four, and six layers design were manufactured using tape-casting, lamination, and sintering techniques. After sintering, while the thickness of YSZ outer layers remained constant at 30 m, the thickness of the SCSZ inner layer varied from 30 m for a Y SC Y three-layered electrolyte, 60 m for a Y 2SC Y four-layered electrolyte, and 120 m for a Y 4SC Y six-layered electrolyte. The microstructure, crystal structure, impurities present, and the density of the sintered electrolytes were characterized by scanning and transmission electron microscopy, X-ray and neutron diffraction, secondary ion mass spectroscopy, and water immersion techniques.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

A New Class of Proton Conductors with Dramatically Enhanced Stability and High Conductivity for Reversible Solid Oxide Cells

Reversible solid oxide cells based on proton conductors (P-ReSOCs) have potential to be the most efficient and low-cost option for large-scale energy storage and power generation, holding promise as an enabler for the implementation of intermittent renewable energy technologies and the widespread utilization of hydrogen. Here, the rational design of a new class of hexavalent Mo/W-doped proton-conducting electrolytes with excellent durability while maintaining high conductivity is reported. Specifically, BaMo(W) 0.03 Ce 0.71 Yb 0.26 O 3-δ exhibits dramatically enhanced chemical stability against high concentrations of steam and carbon dioxide than the state-of-the-art electrolyte materials while retaining similar ionic conductivity. In addition, P-ReSOCs based on BaW 0.03 Ce 0.71 Yb 0.26 O 3-δ demonstrate high peak power densities of 1.54, 1.03, 0.72, and 0.48 W cm –2 at 650, 600, 550, and 500 °C, respectively, in the fuel cell mode. During steam electrolysis, a high current density of 2.28 A cm –2 is achieved at a cell voltage of 1.3 V at 600 °C, and the electrolysis cell can operate stably with no noticeable degradation when exposed to high humidity of 30% H 2 O at –0.5 A cm –2 and 600 °C for over 300 h. Altogether, this work demonstrates the promise of donor doping for obtaining proton conductors with both high conductivity and chemical stability for P-ReSOCs.

25 ENERGY STORAGE↗
DOE OSTI2017

Experimental Study on Electrical Conductivity of MnO-CaO-SiO{sub 2} Slags at 1723 K to 1823 K (1450 °C to 1550 °C) and Various Oxygen Potentials

The electrical conductivity of molten slag has many important and practical effects in modeling and operating the electric smelting furnace. In the present study, the electrical conductivities (total and electronic/ionic properties) of MnO-CaO-SiO{sub 2} slags were measured by a four-electrode method at different oxygen potentials and temperatures. Experimental results show that the effects of temperature on the total, electronic, and ionic conductivities obey the Arrhenius law, and all conductivities increase when increasing the temperature. The stepped potential chronoamperometry method was used to measure the electronic transference number, which is affected strongly by oxygen potential but is unaffected by temperature. The total electrical, electronic, and ionic conductivities present similar increasing trends when increasing the CO/CO{sub 2} ratio, which resulted from increasing Mn{sup 2+}.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Crystal-Physical Model of Ion Transport in Nonlinear Optical Crystals of KTiOPO{sub 4}

The ionic conductivity along the principal axes a, b, and c of the unit cell of the nonlinear-optical high-resistance KTiOPO{sub 4} single crystals (rhombic syngony, space group Pna2{sub 1}), which are as-grown and after thermal annealing in vacuum, has been investigated by the method of impedance spectroscopy. The crystals were grown from a solution-melt by the Czochralski method. The as-grown KTiOPO{sub 4} crystals possess a quasi-one-dimensional conductivity along the crystallographic c axis, which is caused by the migration of K{sup +} cations: σ{sub ║c} = 1.0 × 10{sup –5} S/cm at 573 K. Wherein the characteristics of the anisotropy of ionic conductivity of the crystals is equal to σ{sub ║c}/σ{sub ║a}= 3 and σ{sub ║c}/σ{sub ║b}= 24. The thermal annealing at 1000 K for 10 h in vacuum increases the magnitude of σ{sub ║c} of KTiOPO{sub 4} by a factor of 28 and leads to an increase in the ratio σ{sub ║c}/σ{sub ║b}= 2.1 × 10{sup 3} at 573 K. A crystal-physical model of ionic transport in KTiOPO{sub 4} crystals has been proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Structure and dynamics of ILs-based gel polymer electrolytes and its enhanced conductive properties with the incorporation of Al 2 O 3 nanofibers

Here, this work reports the enhanced mobility of ions in ionic liquid (IL)-based gel polymer electrolytes (GPEs) with the incorporation of Al 2 O 3 nanofibers. A combination of PVDF-HFP, EMIMTFSI and LiTFSI with 3 wt% Al 2 O 3 nanofibers has been prepared through solution casting technique. The room temperature ionic conductivity of PVDF-HFP: ILs electrolyte (45:55, weight ratio of 0.82) (GPE) is found to be 2.7 × 10 –5 S cm –1 , which increases up to 7.8 × 10 –5 S cm –1 in Al 2 O 3 containing GPE (Al-GPE). Pulsed field gradient (PFG) NMR results validate the increased ionic conductivity observed in Al-GPE. We found that the diffusivity of Li + , TFSI – and EMIM + increases when Al 2 O 3 nanofibers are well-distributed in the GPE matrix. The surface morphology and the amorphicity of GPEs are examined through SEM and XRD analyses. Lastly, the local structure of Al 2 O 3 fibers and the molecular-level interactions of ions with polymer, and their effect on the diffusivity of ions are established through solid-state NMR detecting 27 Al, 1 H, 13 C, 19 F nuclei including 2D 13 C{ 1 H} HETCOR NMR experiments. The 13 C DPMAS and CPMAS experiments highlight the dynamic heterogeneity associated with the ions that are embedded in the rigid and the mobile phase of GPEs. While some of the ionic species strongly interact with polymer chains in the rigid environment, the majority of them reside in the mobile phase and contribute to the overall increased conductivity. Most importantly, Al 2 O 3 nanofibers significantly affect the dynamics of ionic species that are present in the mobile phase between the polymer chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Mechanically Reinforced Pseudosolid Polyelectrolyte Membranes via Layer-by-Layer Assembly for High-Performing Lithium-Metal Batteries

Ionogels are emerging as high-potential pseudosolid electrolytes for lithium-metal batteries (LMBs), leveraging their intrinsic high ionic conductivity from entrapped ionic liquid (IL) electrolytes. However, their practical application is hindered by poor mechanical strength stemming from the confinement of ILs within a polymer matrix. To address this challenge, the formation of conformal polyion coatings with functional groups is reported to be relevant to LMBs’ application on ionogels, utilizing a layer-by-layer (LbL) assembly strategy. Here, this approach significantly enhances the mechanical strength (Young's modulus and tensile strength) and electrochemical performance of ionogels, owing to the tailored interface modifications introduced by functional groups’ specific conformal polyion coatings. The core of this methodology leverages the inherent ionic structure of ionogels to enable facile interface modification through Coulombic interactions between polyanions and polycations. These conformally coated interface functionalized membranes show improved electrochemical performance when integrated with cathode materials such as LiFePO 4 (LFP) and LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) in an LMB configuration, underscoring their potential for robust, high-conductivity, pseudosolid membranes for LMB applications. These innovative pseudosolid membranes offer improved mechanical and electrochemical properties, leading to higher battery efficiency and safety, making them promising candidates for next-generation LMB technology.

25 ENERGY STORAGE↗
DOE OSTI2025

Mechanistic insights into superionic thioarsenate argyrodite solid electrolytes via machine learning interatomic potentials

The lithium argyrodite sulfide solid electrolyte Li 6 PS 5 Cl has attracted considerable interest for all-solid-state batteries owing to its high ionic conductivity, which can be further enhanced through ionic substitution. Although a variety of substitutions have been investigated, thioarsenate argyrodites remain comparatively underexplored. Here, we systematically investigate the phase stability and Li-ion conduction mechanisms in superionic Br-incorporated thioarsenate argyrodites using first-principles calculations and molecular dynamics simulations based on machine learning interatomic potentials (MLIPs). Systematic variation of S/Br site inversion reveals that an optimal degree of anion disorder significantly enhances inter-cage connectivity and facilitates long-range Li-ion diffusion. Configurational entropy serves as an effective quantitative descriptor of anion disorder, exhibiting a strong correlation with ionic conductivity. While greater anion disorder induced by site inversion and higher Br content enhances ionic conductivity up to 50 mS cm −1 , it simultaneously reduces structural stability. This trade-off results in an optimal window in which a moderate level of disorder yields conductivities exceeding 20 mS cm −1 while maintaining synthetic feasibility. In conclusion, this work highlights the reliability and efficiency of MLIPs for elucidating ion-transport mechanisms and accelerating the design of novel superionic argyrodites.

Jang, Myeongcho [Korea Institute of Science and Te↗
DOE OSTI2022

A cellulose-derived supramolecule for fast ion transport

Supramolecular frameworks have been widely synthesized for ion transport applications. However, conventional approaches of constructing ion transport pathways in supramolecular frameworks typically require complex processes and display poor scalability, high cost, and limited sustainability. Here, we report the scalable and cost-effective synthesis of an ion-conducting (e.g., Na + ) cellulose-derived supramolecule (Na-CS) that features a three-dimensional, hierarchical, and crystalline structure composed of massively aligned, one-dimensional, and ångström-scale open channels. Using wood-based Na-CS as a model material, we achieve high ionic conductivities (e.g., 0.23 S/cm in 20 wt% NaOH at 25 °C) even with a highly dense microstructure, in stark contrast to conventional membranes that typically rely on large pores (e.g., submicrometers to a few micrometers) to obtain comparable ionic conductivities. This synthesis approach can be universally applied to a variety of cellulose materials beyond wood, including cotton textiles, fibers, paper, and ink, which suggests excellent potential for a number of applications such as ion-conductive membranes, ionic cables, and ionotronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Design of superionic polymer electrolytes

Despite potential significant advantages of polymer based batteries, the poor ionic conductivity of dry polymer electrolytes at ambient and low temperatures has limited their application. This review describes the approach for improving conductivity by decoupling ionic transport from polymer segmental relaxation. It is emphasized that the decoupling approach is the key for design of superionic polymer electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2019

Fundamental parameters governing ion conductivity in polymer electrolytes

We analyze conductivity of polymerized ionic liquids with focus on fundamental limitations hindering faster charge transport in polymer electrolytes. We emphasize that to achieve the required ionic conductivity ~10 -3 S/cm in dry polymer electrolytes, a decoupling of ion transport from segmental dynamics is required. We demonstrate that two competing mechanisms control decoupling of ion transport: electrostatic interactions that dominates for small ions such Li, and elastic force that dominates for large ions. Our experimental results indeed confirm significant contribution of the elastic force to the energy barrier controlling transport of large ions. We also emphasize importance of ion-ion correlations that strongly affect charge transport (conductivity) even at the same ion diffusivity. Our analysis suggests that these correlations suppress ion conductivity in polymer electrolytes by about ten times. At the end, we formulate some ideas on design of polymer electrolytes with high ion conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An overview of cobalt-free, nickel-containing cathodes for Li-ion batteries

The need for high-energy, low-cost batteries is projected to grow dramatically in the next decade due to electrification of the transportation market. Such demands are straining Li-ion supply chains for critical materials including lithium, nickel, and cobalt. Price instability, environment toxicity, and limits in the absolute supply lead to great concern for the continued use of cobalt. Similar to cobalt, the required grade of nickel for batteries, known as Class 1 nickel, has also been declining due to geological scarcity and low incentive prices. Herein, this review summarizes alternative cathode chemistries with no cobalt and reduced nickel content for high-energy Li-ion batteries targeting sustainable growth in the electric vehicle market. Further, the primary challenges associated with each material system are generally classified as being related to four common categories: (1) ion instability during charging, (2) poor electronic conductivity, (3) poor ionic conductivity, and (4) poor thermal stability.

25 ENERGY STORAGE↗
DOE OSTI2023

Understanding the Influence of Li 7 La 3 Zr 2 O 12 Nanofibers on Critical Current Density and Coulombic Efficiency in Composite Polymer Electrolytes

Composite polymer electrolytes (CPEs)are attractive materials for solid-state lithium metal batteries, owing to their high ionic conductivity from ceramic ionic conductors and flexibility from polymer components. As with all lithium metal batteries, however, CPEs face the challenge of dendrite formation and propagation. Not only does this lower the critical current density (CCD) before cell shorting, but the uncontrolled growth of lithium deposits may limit Coulombic efficiency (CE) by creating dead lithium. Here, we present a fundamental study on how the ceramic components of CPEs influence these characteristics. CPE membranes based on poly-(ethylene oxide) and lithium bis-(trifluoro methane sulfonyl)-imide(PEO-LiTFSI) with Li 7 La 3 Zr 2 O 12 (LLZO) nanofibers were fabricated with industrially relevant roll-to-roll manufacturing techniques. Galvanostatic cycling with lithium symmetric cells shows that the CCD can be tripled by including 50 wt % LLZO, but half-cell cycling reveals that this comes at the cost of CE. Varying the LLZO loading shows that even a small amount of LLZO drastically lowers the CE, from 88% at 0 wt % LLZO to 77% at just 2 wt % LLZO. Mesoscale modeling reveals that the increase in CCD cannot be explained by an increase in the macroscopic or microscopic stiffness of the electrolyte; only the microstructure of the LLZO nanofibers in the PEO-LiTFSI matrix slows dendrite growth by presenting physical barriers that the dendrites must push or grow around. This tortuous lithium growth mechanism around the LLZO is corroborated with mass spectrometry imaging. In conclusion, this work highlights important elements to consider in the design of CPEs for high-efficiency lithium metal batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Intrinsic Properties of Individual Inorganic Silicon–Electrolyte Interphase Constituents

Because of the complexity, high reactivity, and continuous evolution of the silicon-electrolyte interphase (SiEI), 'individual' constituents of the SiEI were investigated to understand their physical, electrochemical, and mechanical properties. For the analysis of these intrinsic properties, known SiEI components (i.e., SiO 2 , Li 2 Si 2 O 5 , Li 2 SiO 3 , Li 3 SiO x , Li 2 O, and LiF) were selected and prepared as amorphous thin films. The chemical composition, purity, morphology, roughness, and thickness of prepared samples were characterized using a variety of analytical techniques. On the basis of subsequent analysis we found, LiF shows the lowest ionic conductivity and relatively weak, brittle mechanical properties, while lithium silicates demonstrate higher ionic conductivities and greater mechanical hardness. This research establishes a framework for identifying components critical for stabilization of the SiEI, thus enabling rational design of new electrolyte additives and functional binders for the development of next-generation advanced Li-ion batteries utilizing Si anodes.

14 SOLAR ENERGY↗
DOE OSTI2015

The evolution of cyclopropenium ions into functional polyelectrolytes

We report that versatile polyelectrolytes with tunable physical properties have the potential to be transformative in applications such as energy storage, fuel cells and various electronic devices. Among the types of materials available for these applications, nanostructured cationic block copolyelectrolytes offer mechanical integrity and well-defined conducting paths for ionic transport. To date, most cationic polyelectrolytes bear charge formally localized on heteroatoms and lack broad modularity to tune their physical properties. To overcome these challenges, we describe herein the development of a new class of functional polyelectrolytes based on the aromatic cyclopropenium ion.We demonstrate the facile synthesis of a series of polymers and nanoparticles based on monomeric cyclopropenium building blocks incorporating various functional groups that affect physical properties. In conclusion, the materials exhibit high ionic conductivity and thermal stability due to the nature of the cationic moieties, thus rendering this class of new materials as an attractive alternative to develop ion-conducting membranes.

25 ENERGY STORAGE↗
DOE OSTI2012

Cornell Fuel Cell Institute: Materials Discovery to Enable Fuel Cell Technologies (Final Report)

The discovery and understanding of new, improved materials to advance fuel cell technology are the objectives of the Cornell Fuel Cell Institute (CFCI) research program. CFCI was initially formed in 2003. This report highlights the accomplishments from 2006-2009. Many of the grand challenges in energy science and technology are based on the need for materials with greatly improved or even revolutionary properties and performance. This is certainly true for fuel cells, which have the promise of being highly efficient in the conversion of chemical energy to electrical energy. Fuel cells offer the possibility of efficiencies perhaps up to 90 % based on the free energy of reaction. Here, the challenges are clearly in the materials used to construct the heart of the fuel cell: the membrane electrode assembly (MEA). The MEA consists of two electrodes separated by an ionically conducting membrane. Each electrode is a nanocomposite of electronically conducting catalyst support, ionic conductor and open porosity, that together form three percolation networks that must connect to each catalyst nanoparticle; otherwise the catalyst is inactive. This report highlights the findings of the three years completing the CFCI funding, and incudes developments in materials for electrocatalyts, catalyst supports, materials with structured and functional porosity for electrodes, and novel electrolyte membranes. The report also discusses developments at understanding electrocatalytic mechanisms, especially on novel catalyst surfaces, plus in situ characterization techniques and contributions from theory. Much of the research of the CFCI continues within the Energy Materials Center at Cornell (emc 2 ), a DOE funded, Office of Science Energy Frontier Research Center (EFRC).

08 HYDROGEN↗