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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Influence of Single-Crystalline Morphology on the Electrochemical Behavior of High-Nickel Layered Oxide Cathodes

High-Nickel layered oxides are being pursued for their high specific capacities. With increasing nickel content, the layered oxides also suffer from structural and morphological instabilities, which degrade the electrochemical performance. Single-crystalline morphology presents an attractive solution to these problems, simultaneously reducing surface area available for parasitic reactions and preventing electrolyte penetration into the bulk with the removal of grain boundaries. Single-crystal cathodes have already shown promising results with NMC composition cathodes, but there are still gaps in the fundamental understanding of how single-crystalline morphology alters electrochemical behavior. We attempt to fill some of these gaps by studying in detail the electrochemical operation of polycrystalline and single-crystalline LiNiO 2 (LNO). Single-crystal LNO is prepared through a molten salt method yielding high-quality, distinct crystals with comparable lattice chemistry to polycrystalline LNO. The single-crystal LNO achieves far greater stability during long-term cycling, reaching 500 cycles with 82.5% capacity retention. Interestingly, the single-crystalline LNO also displays superior rate performance, delivering 157 mA h g −1 at 10C discharge rate. Investigation of the phase evolution behavior during cycling strongly suggests that the absence of grain boundaries in single-crystalline LNO is responsible for the superior performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Stable lithium fluoride-based cathodes for metal and metal-ion batteries

A battery electrode composition is provided that comprises composite particles. Each composite particle may comprise, for example, active lithium fluoride/metal nanocomposite material optionally embedded into a nanoporous, electrically-conductive skeleton matrix material particle(s), where each of these composite particles is further encased in a Li-ion permeable, chemically and mechanically robust, protective outer shell that is impermeable to electrolyte solvent molecules. The active lithium fluoride/metal nanocomposite material is provided to store and release Li ions during battery operation.

25 ENERGY STORAGE↗
DOE OSTI2022

Nanoscale Compositional Mapping of Commercial LiNi 0.8 Co 0.15 Al 0.05 O 2 Cathodes Using Atom Probe Tomography

Nickel-rich cathodes provide improved specific capacity that lead to higher gravimetric energy density, critical for electric vehicles. However, poor long-term capacity retention at elevated temperatures/high C-rates (the rate of charge and discharge on a battery) stem from material issues: surface phase changes, corrosive side reactions with the electrolyte, ion dissolution and propagation of cracks. Introducing dopants, developing nanoscale surface coatings and graded core-shell structures have all improved the electrochemical performance of nickel-rich cathodes. However, a material level understanding on the effect of Li composition and distribution in Ni-rich cathodes is limited, due to a lack of characterization methods available that can directly image Li at the nanoscale. Hence, it is critical to establish methods such as atom probe tomography (APT), having both nanometer scale spatial resolution and high compositional sensitivity to quantitatively analyze battery cathodes. To fully realize its potential as a method for quantitative compositional analysis of commercial Li-ion batteries, we provide a comprehensive description of the challenges in sample preparation and analyze the dependency of the analysis parameters, specifically laser pulse energy on the measured stoichiometry of elements in a high Ni content cathode material; LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA). In this work, our findings show the stoichiometry variations cannot be explained by charge state ratios or Ga implantation damage alone during FIB preparation, indicating that additional factors such as crystallographic orientation may need to be considered to achieve quantitative nanoscale compositional analysis of such battery cathodes using APT.

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

Temperature-induced changes in the synthesis gas composition in a high-temperature H 2 O and CO 2 co-electrolysis system

Solid oxide electrolysis cell (SOEC) is an attractive renewable technology capable of producing synthesis gas (H 2 + CO) from H 2 O and CO 2 . An SOEC consists of a solid oxide electrolyte and two ceramic or metal-ceramic electrodes. H 2 O and CO 2 are electrolyzed at the cathode producing H 2 and CO, releasing O 2- ions, which travel through the electrolyte to the anode side and recombine to produce pure oxygen gas as the byproduct. In the present study, a La 0.7 Sr 0.2 Ni 0.2 Fe 0.8 O 3 cathode was used to co-electrolyze H 2 O and CO 2 at three different operating temperatures- 700 °C, 750 °C and 800 °C. Synthesis gas was produced at all three operating temperatures with 100% Faradaic efficiency. The composition of the syngas, however, was found to be a function of the operating temperature. In general, the H 2 /CO ratio in the syngas decreased with increased temperature. This was partially due to CO 2 electrolysis becoming more favorable compared to H 2 O electrolysis at higher temperatures.

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

Ammonia eurefstics: Electrolytes for liquid energy storage and conversion at room temperature and ambient pressure

Herein we report the transformation of gaseous ammonia to a liquid at room temperature and ambient pressure through mixing with simple solid ammonium salts. The resulting liquids, named eurefstics, are potentially advantageous for the storage and electrochemical conversion of ammonia and the realization of a green ammonia energy economy. Physical properties of these eurefstics, including the temperature-dependent composition and composition-dependent densities, are reported to glean initial insight into the formation and behavior of this intriguing liquid. Preliminary electrochemical investigations of the eurefstics were also performed. We have found that these eurefstics formed are conductive and can be used directly as electrolytes for ammonia electrolysis reactions to produce hydrogen on demand. Open-circuit potential measurements were also made to determine the formal potential of the hydrogen evolution and corresponding overpotentials. Finally, safety concerns of the eurefstics are discussed in comparison with other liquid phase energy carriers.

25 ENERGY STORAGE↗
DOE OSTI2022

Manipulating Interfacial Dissolution–Redeposition Dynamics to Resynthesize Electrode Surface Chemistry

The solid-liquid electrochemical interface offers a two-dimensional environment for geometrically confined interfacial reactions to tailor electrode surface chemistry under operating conditions. In this study, we demonstrate that the dissolution and redeposition kinetics of transition metal cations, a ubiquitous phenomenon at the electrochemical interface, can be manipulated to regulate the chemical composition and crystal structure of the electrode surface as well as the overall electrochemical performance. Foreign cations (e.g., Ti 4+ ), either added as electrolyte additives or dissolved from surface coatings, can rapidly participate in the electrode dissolution-redeposition process, and facilitate the establishment of the dissolution-redeposition equilibrium. Our work expands the control over the electrochemical reactions at the solid-liquid interface and provides new insights into interfacial studies in electrochemistry and surface science.

25 ENERGY STORAGE↗
DOE OSTI2021

Development of Corrosion- and Erosion-Resistant Coatings for Advanced Ultra-Supercritical Materials

This final report summarized the research efforts and major findings of the Phase I Project “Development of Corrosion- and Erosion-Resistant Coatings for Advanced Ultra-Supercritical Materials”, for the period of October 1, 2019 – Sept. 30, 2021. This project is a collaborative endeavor between Tennessee Tech University, Purdue University, Oak Ridge National Laboratory, Siemens Corporation, and Eastern Plating, LLC, aiming at improving the durability and lifetime of high-pressure (HP) steam turbine blades in advanced ultra-supercritical (A-USC) coal-fired power plants through the development of corrosion/erosion-resistant coatings manufactured via a low-cost electrolytic codeposition process. While Tribaloy alloy T-400C was identified by the U.S. A-USC Materials Consortium as a promising coating composition, further composition optimization is needed to enhance its corrosion and erosion resistance for protecting the A-USC Ni-base turbine components. An integrated computational and experimental approach was employed to optimize coating composition/microstructure and processing parameters. In order to identify candidate coating compositions that could offer balanced properties, thermodynamic calculations were performed to explore the γ+Laves composition space in the Co-Ni-Cr-Mo-Si system with different alloying additions at 600-800 °C. Guided by the calculation results, experimental assessment of selected alloys led to the development of a new generation of Tribaloy compositions with the optimal levels of Cr, Mo and Si, reactive element (e.g., 0.4-0.6 wt.% Y) and other alloying additions. The low-cost and non-line-of-sight electro-codeposition process was employed to deposit a Ni(Co)-CrMoSiY composite coating on commercial Haynes 282 (H282) Ni-base alloy. A diffusion treatment was subsequently applied to convert the composite to the Tribaloy-type coating. Both the codeposition parameters and heat treatment conditions were varied to achieve the desired coating composition, microstructure and phase constituents. In addition, since additive manufacturing (AM) may be an alternative cost-saving option for potential A-USC turbine repair, laser direct deposition was explored to fabricate the H282 alloy with minimal defects. The electro-codeposited Tribaloy coating was also applied to the AM H282 substrate to demonstrate the viability of the coating process in improving the surface finish of AM alloys. Both high-temperature oxidation performance and solid particle erosion (SPE) resistance of model alloys and electro-codeposited coatings were evaluated. About 25 model alloys with various Cr/Mo ratios and reactive element levels, as well as partial substitution of Mo with Nb were evaluated with regard to their oxidation resistance in both air and pure steam at 760-800°C. Compositions based on Ni(Co)-20Cr-18Mo-2.6Si-0.6Y (wt.%) showed significantly improved oxidation resistance over the baseline T400-C. Based on the alloy development results, three generations of new Tribaloy coatings (Gen-1, Gen-2, and Gen-3) with various Mo/Cr contents and Y levels were prepared via electro-codeposition and their microstructure/performance were evaluated. Outstanding air and steam oxidation resistance was achieved for the Gen-2 and Gen-3 coatings. Furthermore, while the SPE resistance of the coatings depended on many factors such as temperature, environment, erodent, velocity and impact angle, the coated samples exhibited similar or better SPE resistance compared to the H282 substrate when magnetite was used as erodent (which is a realistic erodent in A-USC steam turbines). The new Tribaloy coatings also had good long-term compatibility with the H282 alloy substrate. The two large-sized rotating barrels were designed, constructed, and employed to coat dummy HP blades. Uniform coating thickness and microstructure were achieved at various blade locations. Also, a preliminary techno-economic analysis of the proposed coating process was conducted to quantify the cost-effectiveness and to assess the commercial viability of the corrosion- and erosion-resistant coatings. It is estimated that a cost reduction of ~30% could be achieved with the electro-codeposition coating process over the state-of-the-art high velocity oxygen fuel (HVOF) thermal spray. Compared to the leading Tribaloy coating technologies such as HVOF and plasma transfer alloying, electro-codeposition based process has advantages such as low-cost process equipment, uniform deposition even for complex shapes, low levels of contaminants/porosities, reduction of powder waste, and potentially better surface finish and longer turbine service life. The Phase 1 study has demonstrated that it is feasible to develop an electro-codeposited Tribaloy coating with balanced corrosion and erosion properties, even though additional research efforts such as further coating process scale-up and longer-term performance evaluation under realistic A-USC conditions are clearly needed.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Intercalation of Lithium into Graphite: Insights from First-Principles Simulations

Understanding ion intercalation at electrode–electrolyte interfaces is key to the development of energy storage and water desalination. Here, we investigate Li + kinetics at a prototypical interface between graphite anodes and an organic electrolyte, and we elucidate key factors that determine ion transport, using first-principles methodology coupling ab initio molecular dynamics simulations with a solvation model. We show that surface chemical composition significantly influences the kinetics of ion intercalation from the liquid into graphite. We find that this is partly related to the ion desolvation process, which varies notably for different graphite surface chemical terminations. In addition, interfacial polarization is found to play an important role in determining energy barriers for ion transfer. We also discuss the impact of electrode potentials, which is often neglected in conventional first-principles calculations despite being a key factor in device configurations. Our study provides insights into the coupling of electronic and ionic effects of interfacial chemistry on ion transport at complex electrode–electrolyte interfaces.

25 ENERGY STORAGE↗
DOE OSTI2023

Thermodynamic description of molten salt systems: KCl-LiCl-NaCl and KCl-LiCl-NdCl 3

The mixture of KCl and LiCl has been used as electrolyte in the electrorefining process to recover uranium from used nuclear fuels due to the low melting point. However, lanthanides and sodium in the reactor waste continuously dissolve into it and thus alter its thermodynamic properties. To understand the thermodynamic behavior evolution of the electrolyte with the accumulation of impurities, thermodynamic modeling for KCl-LiCl-NaCl and KCl-LiCl-NdCl 3 and four constituent binary systems in the entire composition space was performed using the CALPHAD (CALculation of PHAse Diagrams) approach. The ionic liquid was described by the two-sublattice model, where neutral species were introduced to consider short-range ordering (SRO) within the melt, whereas the solid solution was modeled based on the Compound Energy Formalism. Literature data on phase equilibria and thermochemical properties were critically evaluated and used during the optimization of thermodynamic parameters for KCl-LiCl-NaCl and KCl-LiCl-NdCl 3 and their subsystems. The calculated phase diagrams and mixing enthalpies are in good agreement with the experimental data. The thermodynamic modeling for the KCl-LiCl-NdCl 3 system was carried out for the first time. To fill the gap in experimental measurement, enthalpy of mixing for the KCl-LiCl-NdCl 3 melt was estimated using the surrounded-ion model. These data then served as critical inputs for thermodynamic optimization. Furthermore, the present study can provide insights into thermodynamic property evolution of the electrolyte and solubility limit of various impurities during the electrorefining process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Electrochemically active surface area controls HER activity for Fe x Ni 100–x films in alkaline electrolyte

We report the synthesis and electrocatalytic activity of Fe x Ni 100-x electrochemically deposited films were investigated. Films were evaluated for the hydrogen evolution reaction (HER) in alkaline media with respect to composition and electrochemically active surface area (ECSA). Results demonstrate that films of higher or equal Fe content had an ECSA tenfold greater than films with higher Ni. When normalized by geometric surface area, Fe 50 Ni 50 films required the lowest overpotential of -390 mV to reach a current density of -10 mA cm -2 . However, when normalized by the ECSA, intrinsic HER activity increases as Ni content increases. Tafel slope, ECSA, microscopy, and impedance spectroscopy analyses allow a decoupled analysis of surface area versus activity effects on overall measured HER activity. Furthermore, these analyses collectively demonstrate that the increase in electrocatalytic activity is attributed to the increase in ECSA and not to an enhancement in the intrinsic activity by Fe and Ni component interactions.

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

Highly Tunable Syngas Product Ratios Enabled by Novel Nanoscale Hybrid Electrolytes Designed for Combined CO 2 Capture and Electrochemical Conversion

Coupling renewable energy with the electrochemical conversion of CO 2 to chemicals and fuels has been proposed as a strategy to achieve a new circular carbon economy and help mitigate the effects of anthropogenic CO 2 emissions. Liquid-like Nanoparticle Organic Hybrid Materials (NOHMs) are composed of polymers tethered to nanoparticles and are previously explored as CO 2 capture materials and electrolyte additives. Here, in this study, two types of aqueous NOHM-based electrolytes are prepared to explore the effect of CO 2 binding energy (i.e., chemisorption versus physisorption) on CO 2 electroreduction over a silver nanoparticle catalyst for syngas production. Poly(ethylenimine) (PEI) and Jeffamine M2070 (HPE) are ionically tethered to SiO 2 nanoparticles to form the amine-containing NOHM-I-PEI and ether-containing NOHM-I-HPE, respectively. At less negative cathode potentials, PEI and NOHM-I-PEI-based electrolytes produce CO at higher rates than 0.1 molal. KHCO 3 due to favorable catalyst-electrolyte interactions. Whereas at more negative potentials, H 2 production is favored because of the carbamate electrochemical inactivity. Conversely, HPE and NOHM-I-HPE-based electrolytes display poor CO 2 reduction performance at less negative potentials. At more negative potentials, their performance approached that of 0.1 molal. KHCO 3 , highlighting how the polymer functional groups of NOHMs can be strategically selected to produce value-added products from CO 2 with highly tunable compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Li 2.9 Fe 0.9 Zr 0.1 Cl 6 as Redox-Active Catholyte for Solid-State Li-Ion Batteries

Solid electrolytes are one of the key challenges that hinder the commercialization of all-solid-state batteries. Most efforts have been made to advance the development of solid electrolytes as separators, while the development of catholytes, particularly redox-active catholytes, has been less extensively studied. The high loading of catholytes in composite cathodes, while facilitating ionic conduction, drastically decreases the energy density of the battery. Here, we report an alternative strategy to improve the energy density by using Li 2.9 Fe 0.9 Zr 0.1 Cl 6 as a redox-active catholyte. With a composite cathode containing uncoated LiCoO2 and Li 2.9 Fe 0.9 Zr 0.1 Cl 6 , the solid-state cell not only shows excellent rate capability and stable long-term cycling, benefiting from the high ionic conductivity of Li 2.9 Fe 0.9 Zr 0.1 Cl 6 , but also shows a high cathode specific capacity of ~153 mAh·g –1 . This study broadens the chemical space of the materials design for lithium-ion conductors with redox-active elements (e.g., Fe, Ti, V, and Cr), offering new opportunities to reduce the cost and improve the energy density for all-solid-state batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Resistive Switching of Spinel Li 4 Ti 5 O 12 Lithium-Ion Battery Material for Neuromorphic Computing

The rapid rise of AI has exposed significant limitations in conventional Von Neumann computing architecture, particularly in regard to speed and energy efficiency. To address these challenges, researchers are exploring a brain-inspired neuromorphic architecture that mimics biological neural networks, enabling massive parallel processing with reduced power consumption for complex AI computational demands. Recent interest has focused on utilizing battery electrodes and solid electrolyte materials for their resistive switching properties in developing a neuromorphic architecture. These properties are precisely tuned through local- and bulk-level chemical composition modifications via voltage bias stimuli. In this study, we demonstrate fabricating a three-terminal lithium-ion electrochemical transistor based on lithium titanium oxide (Li 4 Ti 5 O 12 ), a popular lithium-ion battery anode material. We deposited and characterized LTO thin films using RF sputtering, demonstrating a 6 orders of magnitude increase in electronic conductivity upon lithiation, with conductivity plateauing after 20% lithiation. Density functional theory calculations revealed transformation from the insulating to conducting state, supported by experimental characterization through X-Ray Photoelectron Spectroscopy (XPS) and Direct Current (DC) polarization analyses. The fabricated transistor consisted of LTO as the channel layer, gold as source/drain terminals, lithium phosphorus oxynitride (LiPON) as the lithium-ion conductor, and copper as the gate terminal. The device exhibited clear hysteresis in transfer characteristics due to lithium insertion/extraction processes. Long-term potentiation (LTP) and long-term depression (LTD) measurements showed an asymmetric ratio of 1.425 and maximum/minimum conductance ratio of 7.83. When implemented in a deep neural network (DNN) for MNIST handwritten digit recognition, the device achieved 92.03% accuracy over 20 training epochs. Detailed transport mechanism analysis revealed the crucial role of oxygen vacancies and interface effects in device operation. Our preliminary findings establish LTO-based lithium-ion electrochemical transistors as promising candidates for energy-efficient neuromorphic computing applications, offering potential solutions to traditional Von Neumann architecture limitations.

25 ENERGY STORAGE↗
DOE OSTI2020

Strain-driven surface reconstruction and cation segregation in layered Li(Ni 1– x – y Mn x Co y )O 2 (NMC) cathode materials

The composition, structure and phase transformations occurring on cathode surfaces greatly affect the performance of Li-ion batteries. Li-Ion diffusion and surface–electrolyte interaction are two major phenomena that impact the capacity and cell impedance. The effects of surface reconstruction (SR) of cathode materials on the performance of Li-ion batteries are of current interest. However, the origin and evolution of the SR are still not well understood. In this work, density functional theory (DFT) calculations are used to investigate the processes taking place during surface segregation and reconstruction. Facet dependent segregation was found in Li(Ni 1– x – y Mn x Co y )O 2 (NMC) cathodes. Specifically, Co tends to segregate to the (104) surface of the primary particles within the transition metal layer, while Ni ions tend to segregate to the (012) surface in the Li layer, forming a SR. Experimental evidence shows the SR to be epitaxial with the bulk of the as-synthesized material, and the new SR phase is pinned to the NMC unit cell leading to a strained SR. Here, we demonstrate that strain can stabilize a spinel structure of the SR layers. Understanding the effects of surface strain opens a new avenue for the design of cathode materials with enhanced surface properties.

25 ENERGY STORAGE↗
DOE OSTI2021

Cost-effective, Thin-film SOFCs for Reliable Power Generation (Final Report)

The project was aimed at developing and demonstrating an advanced solid-oxide fuel cell (SOFC) technology to cost-effectively and reliably generate electricity directly from hydrocarbon fuels (e.g., natural gas and coal-derived syngas) for distributed and central generation applications. The studied technology was built on a planar, porous metal-supported SOFC (MS-SOFC) with a unique thin-film structure having its anode intimately supported on a metal substrate. The porous metal support with graded porosity was fabricated from a low-cost scalable phase-inversion tape casting method. Anode, thin-film electrolyte, and cathode were sequentially deposited on the porous metal substrate using atmospheric plasma spray (APS). In this study, it was shown that the composition of the casting slurry could significantly influence the morphology of the metal support fabricated using the phase-inversion tape-casting method. Increasing the solid loading in the slurry favored the formation and growth of finger-like pores to a point, but the presence of excessive solid loading increased the viscosity of the casting slurry, restraining the growth of finger-like pores. With the increase in the amount of the binder polyethersulfone (PESf) in the slurry, well grown finger-like pores and a thin sponge-like layer were formed. Since the parameters of the APS process have a significant effect on the microstructure of coatings, which in turn affects or determines the SOFC cell performance, a series of metal-supported solid oxide fuel cells with a four-layer cell configuration of 430L/Ni-ScSZ/ScSZ/LSCF have been fabricated by a combination of phase inversion tape casting and APS techniques. Electrochemical testing of the cells fabricated from different deposition APS conditions revealed significant differences in cell performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

A Lithium Metal Anode Surviving Battery Cycling Above 200 °C

Lithium (Li) metal electrode cannot endure elevated temperature (e.g., >200 °C) with the regular battery configuration due to its low melting point (180.5 °C) and high reactivity, which restricts its application in high-temperature Li metal batteries for energy storage and causes safety concerns for regular ambient-temperature Li metal batteries. Herein, this work reports a Li 5 B 4 /Li composite featuring a 3D Li 5 B 4 fibrillar framework filled with metallic Li, which maintains its initial structure at 325 °C in Ar atmosphere without leakage of the liquid Li. The capillary force caused by the porous structure of the Li 4 B 5 fibrillar framework, together with its lithiophilic surface, restricts the leakage of liquid metallic Li and enables good thermal tolerance of the Li 5 B 4 /Li composite. Thus, it can be facilely operated for rechargeable high-temperature Li metal batteries. Li 5 B 4 /Li electrodes are coupled with a garnet-type ceramic electrolyte (Li 6.5 La 3 Zr 0.5 Ta 1.5 O 12 ) to fabricate symmetric cells, which exhibit stable Li stripping/plating behaviors with low overpotential of approximate to 6 mV at 200 °C using a regular sandwich-type cell configuration. This study affords new insights into realizing a stable Li metal anode for high-temperature Li metal batteries with a simple battery configuration and high safety, which is different from traditional molten-salt Li metal batteries using a pristine metallic Li anode.

25 ENERGY STORAGE↗
DOE OSTI2024

Development of Thin, Robust, Lithium-Impenetrable, HighConductivity, Electrochemically Stable, Scalable, and Low-Cost Glassy Solid Electrolytes for Solid State Lithium Batteries (Final Report)

Solid-state electrolytes (SSEs) must have thicknesses of < 50 microns in order to be competitive with current state-of-the-art organic liquid electrolyte batteries. Mixed oxy-sulfide-nitride (MOSN) glassy solid electrolytes (GSEs) can be drawn into thin ribbons using the glass redraw process, to form glasses with superior performance in a safe, lower-cost, monolithic glass film. It is expected that these new GSEs in solid-state lithium batteries (SSLBs) increase the energy density (anode basis) from ~300 mAh/g to ~ 4000 mAh/g. This project is focused on the development of candidate MOS GSE compositions, and optimization of the thin film drawing process to generate thin film glass ribbons for use in SSLBs.

25 ENERGY STORAGE↗
DOE OSTI2022

Quantification of gas concentrations in NO/NO 2 /C 3 H 8 /NH 3 mixtures using machine learning

We employ machine learning to decode the composition of unknown gas mixtures from the output of an array of four electrochemical sensors. The sensors use metal oxide electrodes paired with a ceramic electrolyte, yttria-stabilized zirconia (YSZ), to produce voltage responses to the presence of gases in complex mixtures. The voltages from the sensor array serve as inputs to a machine learning pipeline which first carries out multi-class classification of mixtures into types based on which gases are present at non-zero concentrations, and subsequently predicts gas concentrations given the mixture type. Thus, our model is able to take a single reading from the sensor array in response to gas mixtures involving NO, NO 2 , C 3 H 8 , and NH 3 , and output a highly accurate prediction of which gases are present in the mixture, along with the concentrations of each constituent gas. Of note, our computational framework can be easily expanded to include additional gases and additional mixture types, allowing it to be used in numerous automotive, industrial and environmental monitoring settings.

47 OTHER INSTRUMENTATION↗