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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The synthesis and electrical transport properties of carbon/Cr 2 GaC MAX phase composite microwires

While MAX phases offer an exotic combination of ceramic and metallic properties, rendering them a unique class of materials, their applications remain virtually hypothetical. To overcome this shortcoming, a sol–gel based route is introduced that allows access to microwires in the range of tens of micrometers. Thorough structural characterization through XRD, SEM, EDS, and AFM demonstrates a successful synthesis of carbonaceous Cr2GaC wires, and advanced low temperature electronic transport measurements revealed resistivity behavior dominated by amorphous carbon. Here, the tunability of electronic behavior of the obtained microwires is shown by a halide post-synthesis treatment, allowing purposeful engineering of the microwires’ electrical conductivity. Raman studies revealed the polyanionic nature of the intercalated halides and a slow decrease in halide concentration was concluded from time-dependent conductivity measurements. Based on these findings, the process is considered a viable candidate for fabricating chemiresistive halogen gas sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Diffusion of Brønsted acidic dopants in conjugated polymers

Many semiconductor devices (e.g., light emitting diodes and photovoltaics) utilize heterojunctions of doped and undoped layers or depend on gradients of electronic doping to control charge transport. Understanding of the formation and stability of gradients in doping requires an understanding of diffusion of dopants and the complex changes in polymer properties that arise during doping. Conjugated polymers can be electrically doped by strong acids, but the details of the reaction mechanism and subsequent stability are not understood. Here, we show a clear kinetic isotope effect in the doping of thin films of poly(3-hexylthiophene) (P3HT) by bis(trifluoromethane)sulfonimide (HTFSI) from solution indicating that this doping process is limited by proton transfer to the polymer. Complementary X-ray photoelectron spectroscopy and dynamic secondary ion mass spectrometry (DSIMS) depth profiling of dopant concentrations show definitive evidence of dopant enrichment at the P3HT surface. These surface-limited concentration profiles suggest that diffusivity of dopants vary inversely with dopant concentration due to doping-induced changes to the structure of the conjugated polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Distinguishing the gapped and Weyl semimetal scenario in ZrTe 5 : insights from an effective two-band model

In this work, we study the static and dynamic transport properties of a low-energy two-band model proposed previously in Martino et al. [PRL 122, 217402 (2019)], with an anisotropic in-plane linear momentum dependence and a parabolic out-of-plane dispersion. The model is extended to include a negative band gap, which leads to the emergence of a Weyl semimetal (WSM) state, as opposed to the gapped semimetal (GSM) state when the band gap is positive. Furthermore, we calculate and compare the zero- and finite-frequency transport properties of the GSM and WSM cases. The DC properties that are calculated for the GSM and WSM cases are Drude spectral weight, mobility, and resistivity. We determine their dependence on the Fermi energy and crystal direction. The in- and out-of-plane optical conductivities are calculated in the limit of the vanishing interband relaxation rate for both semimetals. The main common features are an ω 1/2 in-plane and ω 3/2 out-of-plane frequency dependence of the optical conductivity. We seek particular features related to the charge transport that could unambiguously point to one ground state over the other, based on the comparison with the experiment. Differences between the WSM and GSM are in principle possible only at extremely low carrier concentrations and at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

New High-Strength Ni-based Alloys for High Temperature Service in Liquid Fluoride Salt Environments

The ever-increasing demand for higher system thermal efficiency necessitates the operation of power generation cycles and heat conversion systems for chemical processes at progressively higher temperatures. As the system operating temperature increases, fewer and fewer materials are available with the required mechanical properties and environmental compatibility. This dearth of materials is particularly acute in structural applications at temperatures above 700°C in liquid Fluoride Salt Cooled High-Temperature Reactors (FHRs) and Concentrated Solar Power (CSP) systems where liquid fluoride and/or liquid chloride salts are used for their high thermal capacity and low thermal conductivity to store and transport heat. It has been shown that fluorides and chlorides can degrade the properties of the material used for storage and transport due to corrosive effects thus affecting the performance and lifetime characteristics. Thus, materials used for storage and transport for fluoride/chloride-salt must at the minimum have good compatibility with the salt by exhibiting low corrosion rates at the required temperatures. In addition, since many of the components will be subject to stresses in service, they need to have sufficient strength to resist plastic deformation, and the resistance to time dependent creep deformation at these temperatures, and stress levels. Achieving the combination of these properties required for higher temperatures is particularly challenging considering traditionally, the expected lifetime of some of the components used in these systems are from 30 years (CSP) to 80 years (FHRs). Although 316 stainless steel and associated redox corrosion reduction techniques are being considered for use in the first generational systems, use of 316SS is limited to operating temperatures up to ~ 650°C, thereby resulting in lower reactor efficiencies. Hastelloy ® N, developed at ORNL in the 1950s-60s for molten salt service is currently the leading candidate FHR structural alloy but has inadequate creep properties at high temperatures. Using a computationally-guided approach, Oak Ridge National Laboratory had developed new high strength alloys strengthened by γ’ precipitates (about 2X the strength of Hastelloy ® N) in small laboratory-scale heats that show good resistance to corrosion by fluorides and improved creep rupture life at temperatures up to 850°C (U.S. Patent Application No. 13/833,357 entitled “High Strength Alloys for High Temperature Service in Liquid-Salt Cooled Energy Systems”- granted U. S. Patent No. 9,540,714).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Microdynamics of active particles in defect-rich colloidal crystals

Hypothesis. Because they are self-propulsive, active colloidal particles can interact with their environment in ways that differ from passive, Brownian particles. Here, we explore how interactions in different microstructural regions may contribute to colloidal crystal annealing. Experiments. We investigate active particles propagating in a quasi-2D colloidal crystal monolayer produced by alternating current electric fields (active-to-passive particle ratio ~ 1:720). The active particle is a platinum Janus sphere propelled by asymmetric decomposition of hydrogen peroxide. Crystals are characterized for changes in void properties. The mean-squared-displacement of Janus particles are measured to determine how active microdynamics depend on the local microstructure, which is comprised of void regions, void-adjacent regions (defined as within three particle diameters of a void), and interstitial regions. Findings. At active particle energy E A = 2.55 k B T, the average void size increases as much as three times and the average void anisotropy increases about 40% relative to the passive case. Further, the average microdynamical enhancement, <δ(t)>, of Janus particles in the crystal relative to an equivalent passive Janus particle is reduced compared to that of a free, active particle (<δ(t) > is 1.88 ± 0.04 and 2.66 ± 0.08, respectively). The concentration of active particles is enriched in void and void-adjacent regions. Active particles exhibit the greatest change in dynamics relative to the passive control in void-adjacent regions (<δ(t)> = 2.58 ± 0.06). The results support the conjecture that active particle microdynamical enhancement in crystal lattices is affected by local defect structure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carbon and silicon background impurity control in undoped GaN layers grown with trimethylgallium and triethylgallium via metalorganic chemical vapor deposition

The unintentional impurity incorporation in GaN epitaxial layers impacts the electrical conductivity and optical properties of the films grown by metalorganic chemical vapor deposition (MOCVD). It is critical to control impurity-related states for device structure development. The aim of this work is to contribute to the understanding of the reasons for the presence of certain background impurities. In this paper, the unintentional impurity incorporation of carbon, hydrogen, oxygen, and silicon in undoped (u-) GaN films grown by low-pressure MOCVD were studied. Background impurity concentrations were evaluated by secondary ion mass spectroscopy (SIMS) to optimize growth parameters including V/III ratio, growth temperature (T g ), growth pressure (P g ), and gallium (Ga) precursors of trimethylgallium (TMG) or triethylgallium (TEG). Unintentional [C] and [Si] incorporations are found to be highly dependent on the growth parameters. Further, for the same growth conditions, u-GaN films grown with a TEG precursor exhibited a lower background concentration of C compared to that of GaN grown with TMG. However, the lowest background [C] achieved was grown with TMG using optimized conditions and exhibited [C]<4×10 15 cm -3 which was at the detection limit of the SIMS measurement. These results were measured for a u-GaN layer grown with TMG at 200 Torr, 1030°C, and a V/III of 3700. The lowest background [Si] of 4×10 15 cm -3 was achieved by growing with TMG at 200 Torr, 1000°C, and V/III of 650.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Beyond mass: detecting secondary halo properties with galaxy-galaxy lensing

ABSTRACT Secondary halo properties beyond mass, such as the mass accretion rate (MAR), concentration, and the half mass scale, are essential in understanding the formation of large-scale structure and dark matter haloes. In this paper, we study the impact of secondary halo properties on the galaxy-galaxy lensing observable, ΔΣ. We build an emulator trained on N-body simulations to model ΔΣ and quantify the impact of different secondary parameters on the ΔΣ profile. We focus on the impact of MAR on ΔΣ. We show that a 3σ detection of variations in MAR at fixed halo mass could be achieved with the Hyper Suprime Cam survey assuming no baryonic effects and a proxy for MAR with scatter <1.5. We show that the full radial profile of ΔΣ depends on secondary properties at fixed halo mass. Consequently, an emulator that can perform full shape fitting yields better than two times improvement upon the constraints on MAR than only using the outer part of the halo. Finally, we highlight that miscentring and MAR impact the radial profile of ΔΣ in a similar fashion, implying that miscentring and MAR need to be modelled jointly for unbiased estimates of both effects. We show that present-day lensing data sets have the statistical capability to place constraints on halo MAR within our assumptions. Our analysis opens up new possibilities for observationally measuring the assembly history of the dark matter haloes that host galaxies and clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Effect of glutathione-coated Mn-doped ZnS quantum dots on nutrient delivery in basil ( Ocimum basilicum ) plants

Ensuring efficient nutrient delivery while minimizing environmental impacts remains a significant challenge for modern agriculture. Nanotechnology-based fertilizers offer promising strategies to improve nutrient uptake and bioavailability in plants. This research aims to evaluate the use of Glutathione-coated Manganese-doped Zinc Sulfide quantum dots (GSH-ZnS-Mn QDs) as a potential nano fertilizer for basil (Ocimum basilicum). QDs' physicochemical properties were characterized using UV–Vis spectroscopy, photoluminescence, FTIR, and energy-dispersive X-ray spectroscopy, confirming successful Mn doping and glutathione surface functionalization. Basil plants were exposed to different concentrations of GSH-ZnS-Mn QDs under soil and hydroponic conditions. Plant growth parameters, oxidative stress responses, photosynthetic pigments, and macro- and micronutrient uptake were assessed using biochemical assays and inductively coupled plasma optical emission spectrometry (ICP-OES). Elemental uptake, spatial distribution, and zinc speciation were further investigated using synchrotron-based micro-X-ray fluorescence (μ-XRF) imaging and X-ray absorption near-edge structure (XANES) spectroscopy. Results show that exposure to GSH-ZnS-Mn QDs resulted in a concentration-dependent increase in leaf and stem biomass, accompanied by enhanced Zn accumulation in plant tissues. Catalase activity decreased across all tested concentrations, suggesting a shift toward glutathione-dependent antioxidant pathways rather than oxidative damage. Chlorophyll levels exhibited moderate reductions at higher concentrations. The higher increase in macronutrient (K, Ca, and Mg) uptake was reported in plants exposed to 200 ppm of QDs. μ-XRF imaging indicated a selective accumulation of Zn in roots and stems, with partial translocation to leaves. XANES analyses revealed that Zn from QDs was mainly converted into organic Zn species, such as Zn-phytate, Zn-acetate, and Zn-cysteine, indicating transformation and complexation within the plant. The findings demonstrate that a glutathione coating on GSH-ZnS-Mn QDs improves biocompatibility and nutrient delivery efficiency. These results highlight the relevance of surface functionalization in regulating nanoparticle fate, transformation, and nutrient bioavailability, supporting the potential application of GSH–ZnS–Mn QDs as modern nano fertilizers.

Basil↗
DOE OSTI2022

Dynamic, hollow nanotubular networks with superadjustable pH-responsive and temperature resistant rheological characteristics

Recently, the interest in stimuli-responsive and adaptable materials has continuously grown in various fields and applications. For such responsive systems, different triggers, including pH, light, pressure, temperature, and electric field, have been utilized to control dynamics and assembly. Among these, pH is one of the most convenient, energy-efficient, and economic modalities. Besides, plenty of traditional materials have poor thermal and salt stability, limiting their applications. Herein, we report a new design of a pH-responsive viscoelastic supramolecular complex (VSC) based on commplexation of a new long-chain amino-amide and maleic acid. In this study, the system demonstrated a sol–gel-sol transition from pH 2 to 10, with the largest static viscosity occurring at pH 6 (~1000 Pa·s) and the smallest viscosity at pH 4 (~3.3 Pa·s), indicating ~ 300-fold control over the viscosity. For a given concentration, the static viscosity of VSC was about 15 times larger than that of CTAB/NaSal, a well-established dynamic viscoelastic system, and no pH-responsiveness was observed for the traditional system. In addition, the VSC demonstrated a superior temperature tolerance and lower temperature dependence. The potential of these intriguing dynamics viscoelastic systems was evaluated for hydraulic fracturing and enhanced oil recovery applications. Proppant settling velocity of DMAA/MA was 500 ~ 1000 times lower than that of CTAB/NaSal and common traditional polymers. Likewise, the oil recovery percentage could be significantly improved with the utilization of DMAA/MA compared to the CTAB/NaSal (86 % vs 52 %). Aside from applications in hydraulic fracturing and enhanced oil recovery, we anticipate that the intriguing rheological properties of this viscoelastic system can be beneficial for other chemical engineering applications including personal care products, cosmetics, lubricants, and biomedical gels.

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

Interactive multiscale modeling to bridge atomic properties and electrochemical performance in Li-CO 2 battery design

Li-CO 2 batteries are promising energy storage systems due to their high theoretical energy density and CO 2 fixation capability, relying on reversible Li 2 CO 3 /C formation during discharge/charge cycles. Here, we present a multiscale modeling framework integrating Density Functional Theory (DFT), Ab-Initio Molecular Dynamics (AIMD), classical Molecular Dynamics (MD), and Finite Element Analysis (FEA) to investigate atomic and cell-level properties. The considered Li-CO 2 battery consists of a lithium metal anode, an ionic liquid electrolyte, and a carbon cloth cathode with Sb 0.67 Bi 1.33 Te 3 catalyst. DFT and AIMD determined the electrical conductivities of Sb 0.67 Bi 1.33 Te 3 and Li 2 CO 3 using the Kubo–Greenwood formalism and studied the CO 2 reduction mechanism on the cathode catalyst. MD simulations calculated the CO 2 diffusion coefficient, Li + transference number, ionic conductivity, and Li + solvation structure. The FEA model, parameterized with atomistic simulation data, reproduced the available experimental voltage–capacity profile at 1 mA/cm 2 and revealed spatio-temporal variations in Li 2 CO 3 /C deposition, porosity, and CO 2 concentration dependence on discharge rates in the cathode. Accordingly, Li 2 CO 3 can form large and thin film deposits, leading to dispersed and local porosity changes at 0.1 mA/cm 2 and 1 mA/cm 2 , respectively. The capacity decreases exponentially from 81,570 mAh/g at 0.1 mA/cm 2 to 6200 mAh/g at 1 mA/cm 2 , due to pore clogging from excessive discharge product deposition that limits CO 2 transport to the cathode interior. Therefore, the performance of Li-CO 2 batteries can be improved by enhancing CO 2 transport, regulating Li 2 CO 3 deposition, and optimizing cathode architecture.

Battery performance↗
DOE OSTI2022

Irradiation damage concurrent challenges with RAFM and ODS steels for fusion reactor first-wall/blanket: a review

Reduced activation ferritic martensitic (RAFM) and oxide dispersion strengthened (ODS) steels are the most promising candidates for fusion first-wall/blanket (FW/B) structures. The performance of these steels will deteriorate during service due to neutron damage and transmutation-induced gases, such as helium/hydrogen, at elevated operating temperatures. Here, after highlighting the operating conditions of fusion reactor concepts and a brief overview, the main irradiation-induced degradation challenges associated with RAFM/ODS steels are discussed. Their long-term degradation scenarios such as (a) low-temperature hardening embrittlement (LTHE)—including dose-temperature dependent yield stress, tensile elongations, necking ductility, test temperature effect on hardening, Charpy impact ductile-to-brittle transition temperature and fracture toughness, (b) intermediate temperature cavity swelling, (c) the effect of helium on LTHE and cavity swelling, (d) irradiation creep and (e) tritium management issues are reviewed. The potential causes of LTHE are discussed, which highlights the need for advanced characterisation techniques. The mechanical properties, including the tensile/Charpy impact of RAFM and ODS steels, are compared to show that the current generation of ODS steels also suffers from LTHE, and shows irradiation hardening up to high temperatures of ~400 °C–500 °C. To minimise this, future ODS steel development for FW/B-specific application should target materials with a lower Cr concentration (to minimise α'), and minimise other elements that could form embrittling phases under irradiation. RAFM steel-designing activities targeting improvements in creep and LTHE are reviewed. The need to better understand the synergistic effects of helium on the thermo-mechanical properties in the entire temperature range of FW/B is highlighted. Because fusion operating conditions will be complex, including stresses due to the magnetic field, primary loads like coolant pressure, secondary loads from thermal gradients, and due to spatial variation in damage levels and gas production rates, an experimentally validated multiscale modelling approach is suggested as a pathway to future reactor component designing such as for the fusion neutron science facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

UV-Vis spectrophotometric determination of rare earth elements (REE) speciation at near-neutral to alkaline pH. Part I: m-cresol purple properties from 25-75 °C and Er hydrolysis

The speciation and mobility of rare earth elements (REE) strongly depends on pH which controls the formation of charged aqueous hydroxyl species. The latter potentially play an important role in controlling heavy REE adsorption on clay minerals in near-neutral to alkaline waters such as in regolith-hosted REE mineral deposits. However, accurate REE hydrolysis constants are needed for developing geochemical models that can predict the role of these charged species in natural systems. Here, we develop a robust experimental UV-Vis spectrophotometric method using m-cresol purple to determine in situ pH from 25 to 75 °C. This method is used to derive the average ligand number and hydrolysis constants of erbium (Er) at 25 °C in aqueous solutions with low ionic strength (≤ 0.001 mol/L) at pH from ~7 to 9.5 and in the presence of Er concentrations from 0 to 0.057 mM. The average ligand number ranges between 1 and 3 indicating that Er(OH) 2+ , Er(OH) 2 + and Er(OH) 3 0 control speciation in the experiments. The logarithm of the Er hydrolysis constants (log*β n ° , n= 1 to 3) derived at infinite dilution for the reaction Er 3+ + nH 2 O = Er(OH) n 3-n + nH + are: *β 1 ° = –7.22 ± 0.10, *β 2 ° = –14.52 ± 0.08, *β 3 ° = –23.24 ± 0.04. Implementation of these experimental data into a geochemical model indicates that the Er(OH) 2 + and Er(OH) 3 0 species are both stable in a much wider pH range than previously predicted. Consequently, the positively charged REE hydroxyl complexes can potentially control the fractionation of light vs. heavy REE via adsorption as observed in the formation of certain regolith-hosted REE deposits.

58 GEOSCIENCES↗
DOE OSTI2021

Sensitivity of Carbonaceous Aerosol Properties to the Implementation of a Dynamic Aging Parameterization in the Regional Climate Model RegCM

Freshly emitted soot is hydrophobic, but condensation of secondary aerosols and coagulation with other particles modify its hygroscopic optical properties. This conversion is referred to as “aerosol aging.” Many climate models represent this aging process with a fixed aging time scale, whereas in reality, it is a dynamic process that depends on environmental conditions. Here, we implement a dynamic aging parameterization scheme in the regional climate model RegCM4 in place of the fixed aging timescale of 1.15 days (~27.6 h) and examine its impact on the aerosol life cycle over the Indian subcontinent. The conversion from hydrophobic to hydrophilic aerosol is usually lower than 27.6 h over the entire landmass and lower than 10 h over the polluted Indo-Gangetic Basin (IGB), with seasonal variability. Due to the implementation of the dynamic aging scheme, the column burden and surface mass concentration of carbonaceous aerosols increase during the drier season (December–February) when washout is negligible. The burden is reduced during the wet season (June–September) due to a more efficient washout except over the IGB, where a reduction in precipitation as a result of radiative feedbacks increases the aerosol concentrations. Over the polluted IGB, surface dimming increases due to the dynamic aging scheme, with the top of the atmosphere forcing remaining mostly unchanged. As a result, atmospheric heating increases by at least 1.2 W/m 2 . Our results suggest that climate models should incorporate dynamic aging for a more realistic representation of aerosol simulations, especially in highly polluted regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Doping-dependent phonon anomaly and charge-order phenomena in the HgBa 2 CuO 4 + δ and HgBa 2 CaCu 2 O 6 + δ superconductors

Using resonant x-ray diffraction and Raman spectroscopy, we study charge correlations and lattice dynamics in two model cuprates, HgBa 2 CuO 4 + δ and HgBa 2 CaCu 2 O 6 + δ . We observe a maximum of the characteristic charge order temperature around the same hole concentration (p ≈ 0.09) in both compounds, and concomitant pronounced anomalies in the lattice dynamics that involve the motion of atoms in and/or adjacent to the CuO 2 layers. These anomalies are already present at room temperature, and therefore precede the formation of the static charge correlations, and we attribute them to an instability of the CuO 2 layers. Our finding implies that the charge order in the cuprates is an emergent phenomenon, driven by a fundamental variation in both lattice and electronic properties as a function of doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Carbon-Mediated Oxygen Vacancy Creation at Hematite Interfaces

Nanoscale iron oxides (e.g., hematite (a-Fe 2 O 3 )) have unique properties, such as enhanced chemical reactivity and high surface area, when compared with their bulk counterparts. These nanoscale surfaces can be more reactive due to the presence of defects (e.g., oxygen vacancies). In this work, we probed the surface chemistry of bulk and nanoscale hematite via X-ray photoelectron spectroscopy, electron microscopy, and powder X-ray diffraction. Oxygen exposure and vacuum annealing experiments were conducted to add or remove oxygen vacancies and remove adventitious carbon. In the absence of the oxygen annealing step, vacuum annealing resulted in partial reduction of Fe(III) to Fe(II) on all hematite surfaces. This was a size-dependent effect with the extent of reduction increasing as the crystallite size decreased. In addition, the atomic concentrations of carbon increased on all iron oxide surfaces after vacuum annealing. Oxygen annealing almost completely removed carbon from sample surfaces, and no Fe(III) reduction was observed in the absence of carbon. Under these conditions, the results reveal that carbonaceous material enhances oxygen vacancy formation, which then facilitates the reduction of Fe(III) on hematite surfaces. We provide new insights into the mechanisms of Fe(III) reduction on both bulk and nanoscale hematite surfaces and establish the major role of carbon in oxygen vacancy formation.

Zengotita, Frances E. [University of Notre Dame, I↗
DOE OSTI2023

Electrochemical performance of ionic polymer metal composite under tensile loading

Abstract Cracks in polymer composites can lead to premature failure, which can be disastrous for polymer-based energy storage devices. Detecting these cracks is essential to guarantee the reliability and safety of such devices. However, detecting cracks in composite polymers such as ionic polymer metal composites (IPMCs) is a challenging task, which makes it difficult to ensure their performance and safety. The overall goal of this study is to investigate the effect of cracks or damage caused by tensile loading on the mechanical properties and electrochemical characteristics of IPMC based capacitors. During tensile testing, the deformation of the IPMC strips causes changes in the ion distribution and concentration in the polymer matrix, influencing the performance of the material. The measurements were conducted utilizing electrochemical impedance spectroscopy at a room temperature ( 21 ∘ C ) and frequency range of 10 KHz to 1 Hz. The method utilized in this study proved to be easy and quick with consistent results. The IPMC capacitor was found to increase its capacitance after major cracking in the Pt electrodes from high tensile mechanical loads. Furthermore, at lower frequency range (<100 Hz), the real ( ε ′ ) and imaginary ( ε ′ ′ ) part of permittivity increase with the addition of loads. This displays that the dielectric property of the material is affected due to the increasing of the loads. It is concluded that, at frequencies above 100 Hz, the permittivity is weakly load dependent.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Contaminant Cation Effect on Oxygen Transport through the Ionomers of Polymer Electrolyte Membrane Fuel Cells

We characterized the effects of cobalt (Co 2+ ) and other cation contaminants on the oxygen (O 2 ) transport properties of the PFSA ionomer used in polymer electrolyte membrane fuel cells (PEMFCs) and gained insight into the mechanisms by which contaminant cations inhibit O 2 transport. Such cations can be released by alloy catalysts and environmental conditions and pose a significant challenge to maintaining high current density performance with low platinum (Pt) loadings. We used a test cell capable of isolating the ionomer from the membrane electrode assembly (MEA), allowing for O 2 transport resistance (R O2 ) measurements using a limiting current technique. We contaminated ionomer membranes with Li + , Na + , Ni 2+ , Co 2+ , and Ce 3+ and found a general increase in R O2 for increased contamination levels and decreased water activity. In addition, our Co 2+ results indicated distinct concentration-dependent regimes. The other cation-form ionomers allowed us to separate the impacts of ion pair strength, multivalency, and reduced water uptake. We believe that these factors cause a more compressed hydrophilic domain and tortuous O 2 diffusion path, and a commensurate increase in R O2 . Lastly, we studied the impact of Co 2+ on an operating PEMFC and found an increase in R O2 consistent with the results of our isolated membrane tests.

25 ENERGY STORAGE↗