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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impact of Sr-Containing Secondary Phases on Oxide Conductivity in Solid-Oxide Electrolyzer Cells

Solid-oxide electrolyzer cells (SOECs) based on a yttria-stabilized zirconia (YSZ) oxide electrolyte produce hydrogen from water with the assistance of excess thermal energy; however, Sr diffusion within the Gd-doped CeO 2 (GDC) barrier layer during processing or operation can lead to the formation of unwanted secondary phases such as SrO and SrZrO 3 . Here, to establish and compare the degree of impact of these phases on SOEC performance, we conduct first-principles calculations to study their bulk oxide conductivities and compare them to that of the YSZ electrolyte. We find that SrO has a low conductivity arising from the poor mobility and low concentration of mobile oxygen vacancies, and its presence in SOECs should therefore be avoided. SrZrO 3 also has a lower oxide conductivity than YSZ; however, this discrepancy is primarily due to lower vacancy concentrations rather than low mobility. We find that sufficient levels of Y-doping on the Zr site can increase oxygen vacancy concentrations in SrZrO 3 to achieve an oxide ionic conductivity on par with that of YSZ, thereby mitigating any potential deleterious effect on transport performance. Energy-dispersive X-ray spectroscopy confirms that Y is the most common minority element present in SrZrO 3 forming near the GDC–YSZ interface, alleviating concerns regarding the impact of SrZrO 3 on device performance. These results from our combined computational–experimental analysis can inform future engineering strategies designed to limit the detrimental effects of Sr-induced secondary phase formation on SOEC performance.

08 HYDROGEN↗
DOE OSTI2025

The Effect of Operational Temperature on the Performance and Durability of Solid Oxide Fuel Cells and Solid Oxide Electrolysis Cells

Solid oxide fuel cells (SOFC) and solid oxide electrolysis cells (SOEC) have received great interest due to their highly effective reversibility as power generation and H2 production system without releasing any greenhouse gases into environment. The LSCF electrode exhibits a higher structural and performance stability under both SOFC and SOEC operation due to its mixed ionic and electronic conductivity, and there is no immediate delamination taking place during the initial several hundred hours operation. However, the LSCF based air electrode still presents significant performance degradation (with the increased resistance) over the prolonged operation, such as over 1000 hours of operation under SOFC and SOEC. The influence factors for the cell’s performance and stability need to be optimized to improve the power generation for SOFC and H2 production for SOEC. The effects of operational temperature on the performance and durability for both SOFC and SOEC are electrochemical operation dependent. The performance and performance durability for the first 1500h were currently studied under optimized operational temperature for reversible SOFC/SOEC.

Fan, Yueying [NETL Site Support Contractor, Nation↗
DOE OSTI2025

Voltage cycling as a dynamic operation mode for high temperature electrolysis solid oxide cells

Solid Oxide Electrolysis Cells (SOECs) have emerged as a promising technology for the efficient production of H2 via high-temperature electrolysis. However, power input from dynamic energy sources remains a significant challenge for their long-term stability. It is important to analyze the tolerance of cells under dynamic operation conditions. This study focuses on evaluating the impact of voltage cycling on the performance and durability of electrode-supported SOECs. We explore the operational limits and degradation mechanisms of SOECs subjected to various voltage conditions and find that the cells have high tolerance for dynamic voltage. Voltage cycling between 1.3 V and 1.5 V for 9000 cycles does not damage the cell. Conversely, cycling to higher voltages (≥1.7 V) results in accelerated degradation. Advanced characterization is used to screen for various degradation modes post operation. Within the oxygen electrode, XRD and STEM EDS find compositional and phase evolution in all voltage cycled samples including increased decomposition of the air electrode resulting in cation migration. Microstructural analysis of the fuel electrode from nano-CT data shows minimal change throughout the sample set and no evidence of Ni migration, indicating the fuel electrode is stable and not impacted by cycling to higher voltages within the timeframe studied.

Zhu, Zhikuan↗
DOE OSTI2024

Material Discovery and Design Principles of Perovskite Oxides for Reversible Solid Oxide Cells (R-SOC)

Reversible solid oxide cells (R-SOCs) are highly efficient devices for energy conversion and storage, capable of operating for both hydrogen utilization and production. In fuel cell mode, an R-SOC consumes hydrogen or natural gas to generate electricity, while in electrolysis mode, it produces hydrogen from steam. The discover of new materials with rapid oxygen surface exchange kinetics and enduring stability is crucial for the economically viable commercialization of R-SOCs. To facilitate this pursuit, we conducted extensive Density Functional Theory (DFT) calculations and developed Machine Learning (ML) models to predict critical catalytic properties essential for R-SOCs, such as oxygen surface exchange/diffusivity, and area-specific resistance (ASR). BaCoxFeyZrzO3-d(BFCZ)(x+y+z=1) emerged as a promising family of electrode materials with high activity and stability, validated through systematic experimental study. Moreover, a robust numerical multiphysics model was developed to optimize materials and microstructure parameters, providing the ability to predict the performance of functional R-SOCs.

Liu, Jian↗
DOE OSTI2025

Developing Stable Critical Materials and Microstructure for High-Flux and Efficient Hydrogen Production through Reversible Solid Oxide Cells

Reversible Solid Oxide Cells (RSOCs), which operate as either Solid Oxide Fuel Cells (SOFCs) or Solid Oxide Electrolytic Cells (SOECs), hold great promise for clean, high-efficiency energy conversion and hydrogen production. However, their commercial potential is hindered by stability issues arising from temperature-induced materials degradation. While substantial progress has been made in developing durable, reduced-temperature SOFCs - bringing them closer to commercial deployment, SOECs still exhibit substantially higher degradation rates at both the cell and stack levels under practical operating conditions.

08 HYDROGEN↗
DOE OSTI2025

Machine learning informed rational design of high entropy double perovskite oxide universal air/steam electrodes for solid oxide electrochemical cells

Due to their high efficiency and versatility, solid oxide electrochemical cells (SOCs) are poised to play a significant role in future energy conversion and storage applications. In recent years, SOCs have bifurcated into two distinct categories: traditional oxygen-ion conducting SOCs that typically operate from ∼650—850 °C and the more recent proton-conducting ceramic (PCC) SOCs that typically operate from ∼400—650 °C. Current performance and lifetime of both oxygen-ion conducting SOCs and PCCs is primarily limited by the air/steam electrode, which facilitates the oxygen reduction reaction (ORR) during fuel cell operation and must also facilitate the oxygen evolution reaction (OER) during electrolysis operation. Here, we present a newly designed high-entropy double perovskite oxide suitable as a universal ORR/OER electrode for both oxygen-ion conducting SOCs and PCCs. Machine learning methods are applied to identify chemical descriptors for highly catalytic high-entropy double perovskite oxides (AA’B 2 O 6 ) across a large compositional space. Based on the machine-learning guidance, we ultimately converge on Ba 0.9 Cs 0.1 (Ca 0.2 Gd 0.2 La 0.2 Pr 0.2 Sr 0.2 )Co 1.5 Fe 0.5 O 6 (CsBaHEO) as a universal air/steam electrode. Structure stabilization is accomplished by an equimolar five-cation high-entropy composition on the A’-site, while cesium substitution on the A-site enhances the electrical conductivity and leads to a higher oxygen vacancy concentration. This material exhibits versatility and high performance in reversible oxygen-ion SOCs, reversible PCCs, and also large-scale tubular PCCs. For example, the CsBaHEO-based PCC reaches 1018 mW∙cm −2 at 600°C, while a large-scale tubular PCC using CsBaHEO for electrolysis achieves a hydrogen production rate of 21.314 ML∙min −1 at 600 °C.

Cell↗
DOE OSTI2024

A redox-reversible A/B-site co-doped BaFeO 3 electrode for direct hydrocarbon solid oxide fuel cells

Solid oxide fuel cells (SOFCs) can directly convert the chemical energy in fuel to electrical energy with fuel flexibility; however, the conventional nickel-based anodes face great challenges due to coking upon direct oxidation of hydrocarbon fuels and redox instability. Thus, developing new anode materials which can provide high coking resistance as well as redox stability is crucial. In this work, Ba 0.6 La 0.4 Fe 0.8 Mo 0.1 Ni 0.1 O 3-δ (BLFMN) has been synthesized in air using a sol–gel combustion method, resulting in a dual phase consisting of a cubic BLFMN main phase and scheelite BaMoO 4 (BMO 4 ) secondary phase. By heat-treating the BLFMN dual phase in H 2 at 800 °C for 5 h, a metallic nanoparticle-decorated BLFMN triple phase compound comprising cubic BLFMN, cubic BaMoO 3 (BMO 3 ) and in situ exsolved FeNi 3 alloy was obtained. BLFMN was subsequently investigated as an electrode material for La 0.8 Sr 0.2 Ga 0.83 Mg 0.17 O 3-δ (LSGM) electrolyte (300 μm) supported SOFCs. Symmetrical cells using BLFMN as electrodes with the cell configuration of BLFMN//LSGM//BLFMN showed excellent redox reversibility and a peak power density (PPD) of 1.32 W cm -2 at 850 °C when using H 2 as fuel. Single cell with the cell configuration of BLFMN//LSGM//LSCF (La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ ) reached PPD of 1.61 and 0.41 W cm -2 at 850 °C when operating with H 2 and CH 4 fuel, respectively. Moreover, the single cell exhibit excellent stability (over 300 h) upon direct oxidation of hydrocarbon fuels of CH 4 and C 3 H 8 . This study indicates that BLFMN is a promising redox reversible and coking resistant anode for SOFCs.

08 HYDROGEN↗
DOE OSTI2023

Multi-Constituent Airborne Contaminants Capture with Low Cost Oxide Getters and Mitigation of Cathode Poisoning in Solid Oxide Fuel Cell

The technical effort and scientific findings, discussed in this report, documents operational barriers and associated long term performance stability challenges posed by the presence of trace airborne multi-constituent contaminants present in high-temperature electrochemical systems, including Solid Oxide Fuel Cells (SOFCs), Solid Oxide Electrolysis Cells (SOECs), Ion Transport Membranes, and Gas Separation systems. Above systems, offering promises for cleanliness and energy efficiency, face challenges with electrode poisoning stemming from the presence of trace contaminants including gaseous Cr/B/Si vapors in the presence of intrinsic contaminants SO 2 /CO 2 /H 2 O gases. The study indicates that the long-term electrical performance degradation in SOFC systems can be traced to electrochemical, structural, and mechanical changes across cell, stack, and balance of plant components resulting from interactions with trace contaminants leading to increase in both ohmic and non-ohmic polarizations. The degradation primarily results from solid-state and gas-phase materials migration, electrode poisoning, and interactions at the cell and stack levels. Cathode degradation emerges as a significant factor impacting overall SOFC performance, especially related to the presence of intrinsic and extrinsic airborne impurities such as SOx, CrOx(OH)y, SOx, Si(OH)x, and HBOx. Although at trace levels, prolong systems operation at higher airflow (3-10X stoichiometric) allow the accumulation of contaminants within the cell components leading to electrical performance degradation through poisoning and electrode deactivation.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Economic NMPC for a Reversible Solid Oxide Cell

Reversible solid oxide fuel cells (rSOCs) offer the flexibility to operate in tandem with the electric grid by switching between fuel cell and electrolysis modes based on real-time electricity prices. However, their complex, tightly coupled dynamic behavior poses significant challenges in determining optimal operating strategies. In this work, we present an economic nonlinear model predictive control (E-NMPC) framework to optimize the operation of rSOCs. The proposed E-NMPC is applied to a detailed rSOC flowsheet model that includes a utility scale rSOC module as well as balance-of-plant equipment necessary for thermal management. Our results demonstrate that in fuel cell mode, the E-NMPC strategy reduces hydrogen consumption compared to conventional set-point tracking NMPC, while maintaining the same level of electricity output. Also, in electrolysis mode, the E-NMPC yields a marginal improvement in hydrogen production. In addition, we explore the integration of a battery with the rSOC system to enhance flexibility in meeting electricity production and consumption targets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Dynamic operation and reaction network coupling in solid oxide electrochemical reactors

Solid oxide cells have traditionally been confined to operation as standalone electrolyzers or fuel cells, with research predominantly focused on materials performance. Here, this Comment highlights opportunities to leverage integrated faradaic and non-faradaic reactions alongside dynamic operation in these electrochemical membrane reactors to maximize energy utilization and expand product scope.

Cho, Yoon Jin [University of Michigan, Ann Arbor, ↗
DOE OSTI2024

NMPC for Mode-Switching Operation of Reversible Solid Oxide Cell Systems

Solid oxide cells (SOCs) are a promising dual-mode technology that generates hydrogen through high-temperature water electrolysis and generates power through a fuel cell reaction that consumes hydrogen. Reversible operation of SOCs requires a transition between these two modes for hydrogen production setpoints as the demand and price of electricity fluctuate. Moreover, a well-functioning control system is important to avoid cell degradation during mode-switching operation. In this work, we apply nonlinear model predictive control (NMPC) to an SOC module and supporting equipment and compare NMPC performance to classical proportional integral (PI) control strategies, while ramping between the modes of hydrogen and power production. While both control methods provide similar performance in many metrics, NMPC significantly reduces cell thermal gradients and curvatures (mixed spatial-temporal partial derivatives) during mode switching. A dynamic process flowsheet of the reversible SOC system was developed in the open-source, equation-based IDAES modeling framework. Our IDAES dynamic simulation results show that NMPC can ramp the SOC system between hydrogen and power production targets within short mode-switching times. Moreover, NMPC can comply with operating limits in the SOC system more effectively than PI, and only NMPC can directly enforce user-specified limits for mixed spatial-temporal partial derivatives of temperature. This allows for management of the trade-off be-tween operating efficiency and cell degradation, which is dependent on these temperature curvatures.

Li, Mingrui↗
DOE OSTI2024

In-House Developed Multiphysics Simulation for the Performance of Solid Oxide Cells (SOCs)

Reversible solid oxide cells(rSOCs) are an enabling energy storage/production technology for a dynamic grid environment. Reversible operation requires strong working knowledge of fuel cell (SOFC) and electrolyzer (SOEC). Performance degradation of SOECs has been observed; however, the details of physical processes related to the performance degradation remain unknown. Multiphysics simulations were performed to investigate the performance degradation of solid oxide electrolysis cells under various working conditions.

Yang, Tao↗
DOE OSTI2024

eReaxFF force field development for BaZr 0.8 Y 0.2 O 3-δ solid oxide electrolysis cells applications

The use of solid-oxide materials in electrocatalysis applications, especially in hydrogen-evolution reactions, is promising. However, further improvements are warranted to overcome the fundamental bottlenecks to enhancing the performance of solid-oxide electrolysis cells (SOECs), which is directly linked to the more-refined fundamental understanding of complex physical and chemical phenomena and mass exchanges that take place at the surfaces and in the bulk of electrocatalysis materials. Here, we developed an eReaxFF force field for barium zirconate doped with 20 mol% of yttrium, BaZr 0.8 Y 0.2 O 3-δ (BZY20) to enable a systematic, large-length-scale, and longer-timescale atomistic simulation of solid-oxide electrocatalysis for hydrogen generation. All parameters for the eReaxFF were optimized to reproduce quantum-mechanical (QM) calculations on relevant condensed phase and cluster systems describing oxygen vacancies, vacancy migrations, electron localization, water adsorption, water splitting, and hydrogen generation on the surfaces of the BZY20 solid oxide. Using the developed force field, we performed both zero-voltage (excess electrons absent) and non-zero-voltage (excess electrons present) molecular dynamics simulations to observe water adsorption, water splitting, proton migration, oxygen-vacancy migrations, and eventual hydrogen-production reactions. Based on investigations offered in the present study, we conclude that the eReaxFF force field-based approach can enable computationally efficient simulations for electron conductivity, electron leakage, and other non-zero-voltage effects on the solid oxide materials using the explicit-electron concept. Moreover, we demonstrate how the eReaxFF force field-based atomistic-simulation approach can enhance our understanding of processes in SOEC applications and potentially other renewable-energy applications.

08 HYDROGEN↗
DOE OSTI2025

Evaluation of a 5kW Solid Oxide Electrolysis Cell Stack

Solid oxide electrolysis cells (SOECs) are a developing technology for hydrogen production. They are promising due to their utilization of thermal energy to reduce their electricity consumption. The Department of Energy (DOE) has set goals to reduce the price per kilogram of hydrogen, and Idaho National Laboratory (INL) is conducting research to develop and demonstrate advanced methods and technologies to achieve making hydrogen a more affordable, efficient, and sustainable energy source. In this project, INL is collaborating with a vendor to evaluate and validate the design of a 5kW SOEC stack. The test aims to demonstrate a safe startup, operation, and shutdown on INL’s 5kW test stand, providing third-party validation in a different environment. A successful 50-hour test with stable hydrogen production will pave the way for a subsequent 1000-hour test. This project emphasized learning about electrolysis and the various support systems, referred to as balance of plant (BOP) equipment. These systems required modification while swapping to the vendor 5kW SOEC stack, most prominently the furnace door design and the controls system. It also included gaining skills in creating computer-aided design (CAD) drawings for the new door while using available materials and ensuring it met high-temperature requirements. Upon completion of modifications to the test stand, the SOEC will be test-fitted with respective wiring and piping. Instrumentation and piping will be checked for leaks and quality. This must be completed before the vendor’s engineers arrive to observe the test plan, startup, and a collection of 50 hours of data. The vendor’s engineers will ensure their stack performed sufficiently in the 50-hour test to enable the progression to a 1000-hour test.

08 - HYDROGEN↗
DOE OSTI2025

Kinetics and Thermodynamics of Sr Permeation in CeO 2 -Based Barrier Layers for Solid-Oxide Electrolyzer Cells

Solid-oxide electrolyzer cells (SOECs) convert steam to hydrogen efficiently at high temperatures. However, during operation, the diffusion of cations or impurities through the cells due to electrode degradation can cause unwanted secondary phases to form, which may degrade device performance. Here, in this study, we use atomistic and mesoscale simulations coupled with experimental analysis to study the diffusion of Sr through the Gd-doped CeO 2 (GDC) barrier layer used to protect the yttria-stabilized zirconia (YSZ) electrolyte in SOECs. From our atomistic calculations, we find Sr diffusion to be negligibly slow in bulk GDC; however, surface diffusion is much more favorable. Subsequent mesoscale simulations show that Sr diffusion is activated when the porosity of GDC exceeds ∼10% and significantly exceeds diffusion in bulk and grain boundary regions. We also find that SrO-based species can accumulate at GDC surfaces; however, SrO aggregation and coarsening will be limited by the large lattice mismatch between GDC and SrO. Energy-dispersive X-ray spectroscopy (EDS) and electron diffraction confirm that Sr can accumulate within GDC pores and form disperse Sr-containing secondary phases. Altogether, Sr diffusion in dense GDC is unlikely to give rise to thick SrO layers, which would severely limit device performance. The formation of Sr-containing secondary phases can largely be avoided by restricting the porosity of the GDC layer as much as possible.

36 MATERIALS SCIENCE↗
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

Infiltrated electrodes for metal supported solid oxide electrolysis cells

Metal-supported solid oxide cells (MSOCs) are an alternative to conventional solid oxide cells (SOCs) based on ceramic cermets, offering lower material costs and higher operational flexibility. In this study symmetric MSOCs with infiltrated electrodes are explored for steam electrolysis operation to understand the underlying operation and degradation principles and suggest a direction for future MSOCs development. Two different fuel electrode backbones are used: an electronically-conductive lanthanum strontium co-doped iron nickel titanate (LSFNT) infiltrated with cerium-gadolinium oxide (CGO), or an ionic conductive zirconia based backbone (10ScYSZ) infiltrated with Ni:CGO. At the oxygen side, the backbone is 10ScYSZ, which is infiltrated with lanthanum-strontium co-doped cobalt oxide (LSC), or praseodymium oxide as cobalt-free alternative for comparison. This study suggests that the backbone electronic conductivity is key for good electrochemical performance as well as for boosting cell durability. Highly electronically conductive nanoparticles, especially nickel, were observed to irreversibly agglomerate driven by thermal conditions, whereas CGO proved to be a very stable electrocatalyst. At the fuel side, CGO (LSFNT) electrode showed lower ASR and degradation rate than Ni:CGO(ScYSZ) configuration with measured values of 0.50 Ω cm2 and 11 %/1000 h (at 0.60 A/cm2), and 0.70 Ω cm2 and 26 %/1000 h (at 0.50 A/cm2) at 1.30 V, respectively (700 °C, 50 % steam in hydrogen at the fuel side and air at the oxygen electrode side, LSC(ScYSZ) oxygen electrode).

25 ENERGY STORAGE↗
DOE OSTI2024

Nonlinear model predictive control for mode‐switching operation of reversible solid oxide cell systems

Abstract Solid oxide cells (SOCs) are a promising dual‐mode technology for the production of hydrogen through high‐temperature water electrolysis, and the generation of power through a fuel cell reaction that consumes hydrogen. Switching between these two modes as the price of electricity fluctuates requires reversible SOC operation and accurate tracking of hydrogen and power production set points. Moreover, a well‐functioning control system is important to avoid cell degradation during mode‐switching operation. In this article, we apply nonlinear model predictive control (NMPC) to an SOC module and supporting equipment and compare NMPC performance to classical proportional‐integral (PI) control strategies, while switching between the modes of hydrogen and power production. While both control methods provide similar performance across various metrics during mode switching, NMPC demonstrates a significant advantage in reducing cell thermal gradients and curvatures (mixed spatial‐temporal partial derivatives), thereby helping to mitigate long‐term degradation.

08 HYDROGEN↗