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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The search for high-entropy fuel-cell catalysts using disorder descriptors

The transition to a hydrogen economy depends on efficient, affordable catalysts for fuel cells. Platinum—the industry standard for fuel-cell electrodes—is costly and scarce, highlighting the need for practical alternatives. High-entropy alloys offer vast compositional diversity and tunable properties that can mitigate these issues, yet their chemical complexity and configurational disorder have hindered rational discovery. Here, we introduce a data-driven framework that couples machine learning with first-principles disorder descriptors—including the entropy forming ability, disordered enthalpy-entropy descriptor, and electronic-structure similarity metrics to platinum—to predict alloy synthesizability and catalytic performance. These descriptors are applied for the first time in the context of fuel-cell catalyst discovery. The workflow rapidly screens more than 20 000 compositions and identifies several platinum-free candidates that are economically viable, readily scalable, and exhibit promising predicted activity. These results demonstrate that disorder descriptors are reliably predicted by machine learning models and can be effectively integrated into materials-discovery pipelines, accelerating innovation across complex compositional spaces.

fuel-cell catalysts↗
DOE OSTI2022

Highly Durable Fluorinated High Oxygen Permeability Ionomers for Proton Exchange Membrane Fuel Cells

For proton exchange membrane fuel cells to be cost-competitive in light- and heavy-duty vehicle applications, their Pt content in the catalyst layers needs to be lowered. However, lowering the Pt content results in voltage losses due to high local oxygen transport resistances at the ionomer–Pt interface. It is therefore crucial to use ionomers that have higher oxygen permeability than Nafion. In this paper, novel high oxygen permeability ionomers (HOPIs) are presented, with up to five times higher oxygen permeability than Nafion, synthesized by copolymerization of perfluoro-2,2-dimethyl-1,3-dioxole (PDD) with perfluoro(4-methyl-3,6-dioxaoct-7-ene) sulfonyl fluoride (PFSVE). PDD is the source of higher permeability due to its open ring structure, while PFSVE provides ionic conductivity. Optimization of PDD content and equivalent weight enables increased fuel cell performance, mainly at high current densities, where HOPIs can achieve power densities >1.25 W cm -2 and exceed the 0.8 A cm -2 U.S. Department of Energy durability target by losing only 4.5 mV, which is over six times less than 30 mV. Finally, the interactions between HOPI and SO 3 - groups with a PtCo/C catalyst are also elucidated here at a fundamental level.

25 ENERGY STORAGE↗
DOE OSTI2024

Understanding Direct-Ammonia Protonic Ceramic Fuel Cells: High-Performance in the Absence of Precious Metal Catalysts

Ammonia has received considerable attention as a promising carbon-free hydrogen carrier. At temperatures above 400 °C, NH 3 is thermodynamically unstable with respect to decomposition into nitrogen and hydrogen and is, thus, suitable for direct use in solid oxide fuel cells (SOFCs) without external reforming. However, poor catalytic activity for ammonia decomposition at the moderate temperatures of protonic ceramic fuel cell (PCFC) operation has resulted in low fuel cell power output relative to operation on hydrogen and likely contributes to reported cell degradation. Here we prepared cells based on a thermodynamically robust electrolyte, a high activity cathode, and an anode with a distinctive structure to overcome challenges of poor activity and stability. Furthermore, the cells delivered peak power densities of 0.59 and 0.44 W cm –2 under H 2 and NH 3 , respectively, at 500 °C, excellent stability over a period of 200 h, and no detectable NO x in the anode exhaust gas.

25 ENERGY STORAGE↗
DOE OSTI2023

Cummins R-SOFC System Development

The overall purpose of this project was to reduce the Reversible-Solid Oxide Fuel Cell (R-SOFC) system cost by developing two technologies, an improved cell design and the incorporation of an ejector in the fuel recycle loop instead of a blower. A Simulink model of the baseline SOFC system was developed and calibrated with experimental test data. The R-SOFC system model was built by integrating GT Suite developed models of the steam generation components into the baseline Simulink SOFC system model. The ability to run the stack in SOEC operating mode was also added to the model. The system model was used to explore the ability of the R-SOFC system to meet operational constraints on Steam/Carbon ratio and H2 concentration on the fuel side electrode. A CFD ejector model was developed and used to explore a range of ejector design parameters, leading to the final ejector design that was prototyped for testing. A prototype steam ejector was first tested in a laboratory environment using room temperature air. The steam ejector was subsequently tested using the full hot recycle loop with all relevant heat exchangers and steam generation components. The test conditions utilized temperatures, pressures, and flow rates expected in an R-SOFC application. Throughout the experimental testing work, ejector performance test data was used to improve and then validate the CFD ejector model. A CFD cell model was developed and used to optimize thermal gradients, voltage, and cost of a new cell substrate design. A CFD comparison of co-flow and cross-flow cell designs informed the decision to use a co-flow design for the new cell substrate. Multiple rounds of CFD simulation were used to improve the cell design to minimize the variation in air and fuel distribution across cell channels and to minimize the variation in air and fuel distribution across different cells in the stack. A few prototypes of the new cell substrate design were produced and validated in a laboratory environment by thermally spraying and verifying that they met established manufacturing specifications. The cell manufacturing process was adjusted in order to bring these metrics within acceptable tolerances. Cummins’ internal calculations show that the new cell design reduces cost ~50% compared to the baseline cell, while the ejector + superheater/boiler concept reduces cost of the recycle loop by ~40%. The impact of these cost reductions on the cost of producing H2 will depend on the specific system where they are applied. Therefore, a Techno-Economic Analysis was completed using system cost as a variable, and showing how the NREL Current and Future system costs translate into H2 production cost.

Henrichsen, Lars↗
DOE OSTI2025

Platinum–Ruthenium Alloys Are Not Bifunctional CO Electro-Oxidation Catalysts: A Kinetic Analysis

Electro-oxidation of CO is a common kinetic bottleneck in many types of fuel cells and organic electrosynthesis processes. Alloys of Pt and Ru are often used as anode catalysts, with high activity attributed to bifunctionality; this suggests that Ru preferentially activates water to form surface hydroxyl groups that can react with Pt-bound CO. However, rigorous kinetic measurements have not confirmed this assertion under steady-state electro-oxidation conditions. Here, CO electro-oxidation is analyzed using several commercial Pt/C and Pt 100-x Ru x /C nanoparticle catalysts in acidic and alkaline electrolytes. Kinetic observables including apparent transfer coefficients and reaction orders are measured and evaluated using a degree of rate control analysis. The kinetic observables for both Pt and PtRu alloys are most consistent with competitive adsorption and Langmuir–Hinshelwood coupling across a single site-type, rather than two distinct sites. Furthermore, the role of Ru in CO electro-oxidation is assigned to be a purely electronic effect.

Alcohols↗
DOE OSTI2022

Correlating the Morphological Changes to Electrochemical Performance During Carbon Corrosion in Polymer Electrolyte Fuel Cells

A mechanistic understanding of carbon corrosion in polymer electrolyte fuel cells (PEFCs) is required to design durable catalyst layers. Uncontrolled startup and shutdown of PEFCs cause electrochemical oxidation of carbon, which leads to several degradation phenomena, such as loss in electrochemical surface area (ECSA), pore structure collapse or increase in mass transport resistance. In this study, the chronology of morphological changes in the cathode catalyst layer due to carbon corrosion was identified and correlated with electrochemical performance degradation. PEFCs were subjected to the Department of Energy carbon corrosion accelerated stress test (AST) protocol. The study revealed two phases: in the initial phase (~500 AST cycles), amorphous carbon in contact with Pt nanoparticles oxidized fast. Rapid carbon loss and catalyst layer thinning occurred, but pore structure did not change significantly. Pt nanoparticles detached from the support and ECSA decreased drastically. In the second phase (~1500 AST cycles), carbon corrosion slowed down, but severe pore structure collapse was observed. Porosity and pore connectivity within the cathode catalyst layer decreased considerably. Electrochemical diagnostics corroborated this finding by showing significantly higher O2 mass transport resistance. Lastly, no significant change was observed in the concentration of oxides on the carbon surface after AST. But overall water management in the cathode catalyst layer deteriorated as the pore structure collapsed. This study provides an in-depth understanding of morphological changes during PEFC carbon corrosion AST protocol and motivates novel material design strategies to enable durable PEFCs.

catalyst layers↗
DOE OSTI2023

Durable Fuel Cell MEA through Immobilization of Catalyst Particle and Membrane Chemical Stabilizer

For hydrogen-based fuel cell electric vehicle to be cost competitive with the incumbent diesel-powered internal combustion engine heavy-duty vehicle, the total cost of ownership of the truck must be decreased via both capital cost and the operating cost (H 2 fuel expense) reduction. This puts the emphasis on the decrease of fuel cell stack cost via use of low platinum catalyst material usage to decrease capital cost, high H 2 fuel efficiency and high stack durability to decrease the operating cost. US DOE has set a target of ≤ 0.25 mgPt/cm 2 total loading in the membrane electrode assembly, high fuel efficiency of > 68% and a HD-combined target of ≥ 2.5 kW/gPGM after running an accelerated stress test (AST) equivalent to 30,000 hours of heavy-duty fuel cell operation.

08 HYDROGEN↗
DOE OSTI2024

A thermodynamic perspective on electrode poisoning in solid oxide fuel cells

A critical challenge to the commercialization of clean and high-efficiency solid oxide fuel cell (SOFC) technology is the insufficient stack lifespan caused by a variety of degradation mechanisms, which are associated with cell components and chemical feedstocks. Cell components related degradation refers to thermal/chemical/electrochemical deterioration of cell materials under operating conditions, whereas the latter regards impurities in feedstocks of oxidant (air) and reductant (fuel). This article provides a thermodynamic perspective on the understanding of the impurities-induced degradation mechanisms in SOFCs. The discussion focuses on using thermodynamic analysis to elucidate poisoning mechanisms in cathodes by impurity species such as Cr, CO 2 , H 2 O, and SO 2 and in the anode by species such as S (or H 2 S), SiO 2 , and P 2 (or PH 3 ). The author hopes the presented fundamental insights can provide a theoretical foundation for searching for better technical solutions to address the critical degradation challenges.

25 ENERGY STORAGE↗
DOE OSTI2025

Probing Surface/Bulk Structural Chemistry of Key Components of Solid Oxide Electrochemical Cells with In Situ / Operando Raman Spectroscopy

The remarkable attributes of solid oxide electrochemical cell technology (e.g., energy efficiency, low cost, scalability, low emissions, and operational flexibility, etc.) drive the wider adoption of electrochemical conversion routes for sustainability. It is critical for the codevelopment of solid oxide cell materials and processes to establish the mechanistic understanding of the underlying chemical phenomena at the molecular level. Herein, we summarize the advancements in Raman spectroscopy that provide structural/molecular information on electrode/electrolyte materials typically used in solid oxide cells for energy conversion. In particular, we discuss the multifactorial environment induced chemical processes that govern the performance and longevity of solid oxide electrochemical devices. The in situ/operando Raman spectroscopic investigations on the electrode/electrolyte materials reported in the literature are summarized with the emphasis on identification of key material properties that control the functional aspects of the solid oxide cells. The molecular level understanding of the electrochemical processes will allow advancement of the rational design of electrochemical materials for process level deployment of solid oxide cell technology.

Electrodes↗
DOE OSTI2025

Toward a Better Understanding of Ni Coarsening in Solid Oxide Cells: NiH on Ni (111) Examined Using a Combined Theoretical Approach

The coarsening of the Ni particles in the hydrogen electrode of solid oxide cells (SOCs) is an important degradation mechanism. Here, in this paper, density-functional theory and kinetic Monte Carlo methods are used to explore our recent hypothesis that the surface diffusion of NiH may cause faster Ni coarsening in electrolysis cell mode under an overpotential. Using both methods, the diffusion constant or diffusivity of NiH on Ni (111) is determined as the product of the surface coverage and single-molecule diffusivity for the first time considering all possible diffusion paths. It is then determined versus overpotential at the triple-phase boundary of the hydrogen electrode assuming a typical operating temperature of the SOC. Under a significant overpotential, the diffusivity of NiH is found to be sufficiently large to support the above hypothesis that NiH may promote Ni coarsening. However, based on the adsorption configurations identified, the dissociation and reformation of NiH on Ni (111) could occur. Thus, more work is needed to develop a model of Ni coarsening considering both molecular and dissociated forms of NiH.

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

Advanced Electrode Structures for Proton Exchange Membrane Fuel Cells: Current Status and Path Forward

Abstract Proton exchange membrane fuel cells (PEMFCs) have demonstrated their viability as a promising candidate for clean energy applications. However, performance of conventional PEMFC electrodes, especially the cathode electrode, suffers from low catalyst utilization and sluggish mass transport due to the randomly distributed components and tortuous transport pathways. Development of alternative architectures in which the electrode structure is controlled across a range of length scales provides a promising path toward overcoming these limitations. Here, we provide a comprehensive review of recent research and development of advanced electrode structures, organized by decreasing length-scale from the millimeter-scale to the nanometer-scale. Specifically, advanced electrode structures are categorized into five unique architectures for specific functions: (1) macro-patterned electrodes for enhanced macro-scale mass transport, (2) micro-patterned electrodes for enhanced micro-scale mass transport, (3) electrospun electrodes with fiber-based morphology for enhanced in-plane proton transport and through-plane O 2 transport, (4) enhanced-porosity electrodes for improved oxygen transport through selective inclusion of void space, and (5) catalyst film electrodes for elimination of carbon corrosion and ionomer poisoning. The PEMFC performance results achieved from each alternative electrode structure are presented and tabulated for comparison with conventional electrode architectures. Moreover, analysis of mechanisms by which new electrode structures can improve performance is presented and discussed. Finally, an overview of current limitations and future research needs is presented to guide the development of electrode structures for next generation PEMFCs. Graphical Abstract Development of improved electrode architectures with the control of structure on length scales ranging from millimeters to nanometers could enable a new generation of fuel cells with increased performance and reduced cost. This paper presents an in-depth review and critical analysis of recent developments and future outlook on the design of advanced electrode structures.

25 ENERGY STORAGE↗
DOE OSTI2022

Probing Anion Exchange Membrane Fuel Cell Cathodes by Varying Electrocatalysts and Electrode Processing

To date, several high-performing anion exchange membrane fuel cells (AEMFCs) have been demonstrated, but most these studies have focused on Pt containing cathodes with high loadings. Here, we explore and compare the performance and perform electrochemical diagnostics on three leading AEMFC cathode electrocatalysts: Pt/C, Ag/C, and Fe–N–C with electrodes that have been processed with either powder or dispersion-based ionomers using perfluorinated anion exchange polymers. Pt/C had the highest performance but also showed a strong dependence on ionomer type, with powder ionomer exhibiting much higher performance. These results were consistent with the observations for Ag/C but did not hold for the Fe–N–C catalyst where almost no change was observed between powder and dispersion-based ionomers. This is the first-time the impact of powder and dispersion ionomer with different classes of cathode electrocatalysts on the fuel cell performance have been compared, and the results have strong implications for the ability to achieve high performance at low loadings and for better understanding catalyst-ionomer interactions within AEMFCs.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Simultaneously improved reversibility and hydrogen production of solid oxide cells through infiltrating air electrode

Among the various fuel cells, solid oxide cells (SOCs) are the unique type that can principally operate reversibly as either fuel cells to produce electricity or as an electrolyser to split water and produce green hydrogen (H 2 ). Nevertheless, the SOCs' reversibility presents enormous challenges that are manifested by the fast degradation through the cycling between fuel cell and electrolysis mode. While the La 0.8 Sr 0.2 MnO 3 /yttria-stabilized zirconia (LSM/YSZ) air electrode possesses significant advantages in terms of high electrical conductivity and high thermal stability under fuel cell mode, the SOCs with the LSM/YSZ air electrode experience rapid performance degradation with catastrophic electrode delamination shortly after switching from fuel cell to electrolysis mode. To prevent such catastrophic delamination and enable the electrolysis H 2 production, a chemical solution with the designed chemistry of SrFe 2 O 4-d was infiltrated into the LSM/YSZ air electrode. The infiltration immediately mitigates the catastrophic delamination, and the infiltrated cells exhibit significantly improved reversibility upon the electrochemical operation. Nanostructure examination reveals nanoscale cracks and second-phase nanograins formed in the air electrode from the baseline cell. By contrast, no delamination was observed at either the micron or the nanoscale for the infiltrated cell, which is attributed to the increased ion conductivity of the Fe-doped LSM mixed conductor induced by the significant interdiffusion between the LSM backbone and infiltrates. Here, this study presents a viable method for preventing electrode delamination while enhancing the durability of H 2 production and power generation for reversible fuel cell/electrolysis cell operation. It further opens new research directions of modifying the electrochemical activity of the electrode of inherently functional cells through the infiltration of the solutions with different chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗