Study of electrolytic dissociation of CO2-H2O USING a solid oxide electrolyte
Electrolytic dissociation of carbon dioxide-water using solid oxide electrolyte
ELECTROLYTE↗
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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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Novel approaches for fabrication of thin film layers for solid oxide electrolyte fuel cells
The main objectives of the SOFC (solid oxide fuel cell) project are to (1) identify viable and cost-effective techniques to prepare cell components for stable MSOFCs (monolithic SOFCs); (2) fabricate half and single cells; and (3) evaluate their performances. The approach used to fabricate stable MSOFCs is as follows: (1) the electrolyte layer is prepared in the form of a honeycomb structure by alloy oxidation and other cell components are deposited on it; (2) the electrolyte and anode layers are deposited on the cathode layer, which has a porous, honeycomb structure; and (3) the electrolyte and cathode layers are deposited on the anode layer. The current status of the project is reported.
Murugesamoorthi, K. A.↗
Development Status for a Combined Solid Oxide Co-Electrolyzer and Carbon Formation Reactor System for Oxygen Regeneration
A critical component in spacecraft life support loop closure is the removal of carbon dioxide (CO2, produced by the crew) from the cabin atmosphere and chemical reduction of this CO2 to recover the oxygen. In 2015, we initiated development of an oxygen recovery system for life support applications consisting of a solid oxide co-electrolyzer (SOCE) and a carbon formation reactor (CFR). The SOCE electrolyzes a combined stream of carbon dioxide (CO2) and water (H2O) gas mixtures to produce synthesis gas (e.g., CO and H2 gas) and pure dry oxygen as separate products. This SOCE is being developed from a NASA GRC solid oxide fuel cell and stack design originally developed for aeronautics long-duration power applications. The CFR, being developed by pHMatter LLC, takes the CO and H2 output from the SOCE, and converts it primarily to solid carbon (C(s)) and H2O and CO2. Although the solid carbon accumulates in the CFR, the innovative design allows easy removal of the carbon product, requiring minimal crew member (CM) time and low resupply mass (1.0 kg/year/CM) for replacement of the solid carbon catalyst, a significant improvement over previous Bosch reactor approaches. In this work, we will provide a status of our Phase I efforts in the development and testing of both the SOCE and CFR prototype units, along with an initial assessment of the combined SOCE-CFR system, including a mass and power projections, along with an estimate of the oxygen recovery rate.
air revitalization↗
Ni coarsening under humid atmosphere in the electrode of solid oxide cells: A combined study of density-functional theory and phase-field modeling
Ni coarsening in solid oxide cell (SOC) electrodes is known to be significantly faster under a humid atmosphere. The underlying mechanisms, though, have not been fully understood. In this work, we examine the surface diffusion of Ni(OH) x by a combination of density-functional theory and phase-field modeling. Here, density-functional theory is used to evaluate the adsorption and diffusion of the Ni(OH) x species on Ni (111) surface, and the results are used to obtain the effective surface diffusivity of Ni versus steam and hydrogen gas partial pressures. This diffusivity is used as an input for a phase-field model to investigate the Ni coarsening in SOC electrodes. It is found that Ni(OH) x formed through chemical reaction cannot accelerate coarsening unless an extremely high steam to hydrogen ratio is reached. However, if Ni(OH) x is formed through electrochemical reactions near triple phase boundaries (TPBs), surface diffusion of Ni(OH) x may cause faster Ni coarsening in fuel cell mode under a large overpotential. Specifically, surface diffusion of Ni(OH) may be comparable to or faster than that of Ni under an overpotential that is large but still possible under fuel cell operating conditions.
25 ENERGY STORAGE↗
The structure, composition, and performance impact of a YSZ-GDC interdiffusion layer in solid oxide electrolysis cells
This study provides a combined experimental and computational investigation into the structure and impact of the cation interdiffusion layer that appears at the gadolinium doped ceria (GDC)/yttria stabilized zirconia (YSZ) interface in solid oxide electrolysis cells (SOECs). Scanning transmission electron microscopy (STEM) illustrates that a ∼0.4 μm interdiffusion layer (IDL) with an intermixed cation distribution and fine grain size forms upon sintering. STEM identifies that the interdiffusion layer exists in the cubic fluorite structure despite changes in cation composition. The interdiffusion layer microstructure formed during sintering does not change during SOEC testing at either 1.3V or heightened voltage pulse testing. Modeling predicts that ionic conductivity may decrease in the interdiffusion layer due to Coulombic trapping between mobile oxygen vacancies and excess Gd 3+ acceptor dopants. Yet, the density and continuous nature of the layer should benefit cell stability by substantially reducing the formation of SrZrO 3 , which is corroborated by STEM and Synchrotron X-ray diffraction (XRD). We conclude that the interdiffusion layer acts as a beneficial barrier to Sr diffusion, when operating in a regime where electrolyte void formation is not observed.
organic↗
Microstructure-based modeling of inner oxygen pressure in solid oxide electrolysis cells: Analysis of electrode delamination and mitigation
One major degradation mechanism during long-term operation of solid oxide electrolysis cells (SOECs) is delamination of oxygen electrodes (OEs). The driving force for the electrode delamination could be the generated high inner oxygen pressure near the electrode-electrolyte interface during operation. However, the effects of transport properties and electrode thickness on the inner oxygen partial pressure are not well understood. Here a microstructure-based electrochemical model, which includes the conduction of electrons and oxygen ions coupled with Butler-Volmer-type chemical reactions at triple-phase-boundaries (TPBs), is employed to investigate the oxygen pressure in lanthanum strontium manganate (LSM)-based SOECs. The model is applied to both two-dimensional (2D) prototype microstructures and three-dimensional (3D) realistic microstructures, and the oxygen pressure is analyzed as a function of transport properties and electrode thickness under both potentiostatic and galvanostatic operations. The simulation results suggest strategies to suppress electrode delamination. The simulation results are compared to an analytical solution, and the discrepancies are attributed to the Butler-Volmer-type kinetics included in the microstructure-based model.
25 ENERGY STORAGE↗
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↗
Off-Design Performance Analysis of a Solid-Oxide Fuel Cell/Gas Turbine Hybrid for Auxiliary Aerospace Power
A solid-oxide fuel cell/gas turbine hybrid system for auxiliary aerospace power is analyzed using 0-D and 1-D system-level models. The system is designed to produce 440 kW of net electrical power, sized for a typical long-range 300-passenger civil airplane, at both sea level and cruise flight level (12,500 m). In addition, a part power level of 250 kW is analyzed at the cruise condition, a requirement of the operating power profile. The challenge of creating a balanced system for the three distinct conditions is presented, along with the compromises necessary for each case. A parametric analysis is described for the cruise part power operating point, in which the system efficiency is maximized by varying the air flow rate. The system is compared to an earlier version that was designed solely for cruise operation. The results show that it is necessary to size the turbomachinery, fuel cell, and heat exchangers at sea level full power rather than cruise full power. The resulting estimated mass of the system is 1912 kg, which is significantly higher than the original cruise design point mass, 1396 kg. The net thermal efficiencies with respect to the fuel LHV are calculated to be 42.4 percent at sea level full power, 72.6 percent at cruise full power, and 72.8 percent at cruise part power. The cruise conditions take advantage of pre-compressed air from the on-board Environmental Control System, which accounts for a portion of the unusually high thermal efficiency at those conditions. These results show that it is necessary to include several operating points in the overall assessment of an aircraft power system due to the variations throughout the operating profile.
Freeh, Joshua E.↗
Update on NASA Applications using Solid Oxide Fuel Cell and Electrolysis Technologies
This presentation discusses where the solid oxide fuel cell and electrolysis technologies could address the In Situ Resource Utilization (ISRU) and Sustainable Power needs in NASA Exploration activities.
Electrolyzer↗
Evaluation of a 5kW Solid Oxide Electrolysis Cell Stack
Electrolysis is the process of combining water and energy to produce oxygen and hydrogen gas. A solid oxide electrolysis cell (SOEC) is a type of high-temperature electrochemical cell used to yield hydrogen from steam. Many of these cells are put together to form an SOEC stack which operates between 600°C and 1000°C. There are several electrochemical methods for producing hydrogen, but the benefit of high-temperature electrolysis (HTE) in SOECs is they exhibit very high electrical efficiency and the potential for harnessing excess heat from other industrial processes such as nuclear power generation, fertilizer production, and chemical production.
08 - HYDROGEN↗
Examining Ni Coarsening in Solid Oxide Electrolysis Cells by Characterizing NiH on Ni (111) Using a Combined Theoretical Approach
Ni coarsening in the fuel electrode of solid oxide cells (SOCs) is an important degradation mechanism. In this talk, density-functional theory and kinetic Monte Carlo methods are used to explore the hypothesis that the surface diffusion of NiH on Ni may promote Ni coarsening in the SOC operated in electrolysis cell mode. Using both methods and defining the diffusivity as the product of the surface coverage and single-molecule diffusivity, the diffusivity of NiH on Ni (111) is found to be sufficiently large under a significant overpotential to support the above hypothesis. Also, the time between the formation and dissociation of NiH on Ni (111) is predicted to be short at low coverages of H on Ni (111). Thus, significant progress is made toward developing a model of Ni coarsening considering both molecular and dissociated forms of NiH on Ni (111).
density functional theory (DFT)↗
Current interrupt method for calculating the electrochemical impedance in a solid oxide electrolysis stack
Here, in this work the time domain response of Solid Oxide Electrolysis Cells (SOEC) to a current interruption was transformed into the frequency domain using a carrier function Laplace transform, which is fit to the experimental data using a MATLAB Complex Nonlinear Least Squares (CNLS) solver. The hardware implementation, consisting principally of a high-speed switch and a fast-logging Analog to Digital Converter (ADC), was assembled and tested using a calibration module to assess the accuracy, repeatability, and speed of acquisition of the prototype device as compared against a calibrated commercial impedance spectrometer. Additionally, the current interrupt device and commercial FRA were used to acquire the impedance spectra of a four cell SOEC stack with a large, 300 cm 2 , active cell area.
SOEC↗
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↗
First-principles thermodynamic assessment of Sr-containing secondary phase formation in strontium-substituted lanthanum manganites for solid oxide cell applications
Sr-secondary phase formation is a potentially significant degradation mode with direct impact upon solid-oxide cell (SOC) commercial viability. A first-principles based thermodynamic study was performed for La 1−x Sr x MnO 3±δ (LSM) perovskites to assess their stability against formation of different Sr-secondary phases, including SrO, SrCrO 4 , SrSO 4 , SrCO 3 , and Sr(OH) 2 , for SOC applications. The Sr-secondary phase formation reaction free energies were determined via a thermodynamic model by combining ab initio lattice dynamics calculations for the solid phases and ab initio thermodynamic data for the gas phases. The current approach expands the previously reported thermodynamic modeling studies by integrating first-principles based point defect equilibria into the thermodynamic analysis. The modeling results obtained using this new approach indicate an increased tendency to form the SrO oxide upon decreasing the oxygen partial pressure. Additionally, the enhancing factors to form the Sr-related secondary phase from the associated SrO activity in LSM are further quantified by considering the equilibrium of SrO reacting with the contaminant gas species as a function of temperature and pressure.
defect thermodynamics modeling↗
Hydrogen Production Cost from Proton-Conducting Solid Oxide Electrolysis
Rigorous stakeholder-vetted techno-economic analysis (TEA) was conducted to estimate the cost of hydrogen (H 2 ) production using Proton-Conducting Solid Oxide (PSO) electrolysis. The analysis evaluates Current (2025) and Future (2035) technology cases at centralized plant scales of 50 and 500 metric tonnes per day (MTD), assuming electricity, water, and air as the only system inputs. Untaxed, unsubsidized levelized cost of hydrogen (LCOH) is projected to range from 2020 $\$$1.81 to $\$$2.47/kg H 2 at an electricity price of $\$$0.03/kWh and 97% capacity factor under Nth-of-a-kind (NOAK) deployment assumptions. Total installed capital cost was developed using bottom-up Design for Manufacture and Assembly (DFMA) stack cost modeling and detailed balance-of-plant estimates, including mechanical and electrical subsystems, installation, site preparation, engineering, and contingency. Stack performance assumptions include thermoneutral operation, degradation over time, and periodic replacement. LCOH was calculated using the Hydrogen Analysis (H2A) discounted cash flow model in constant 2020 dollars. Results indicate PSO electrolysis has potential for competitive hydrogen production costs under low-cost electricity and mature manufacturing conditions.
08 HYDROGEN↗
Microstructure-Based Modeling of Inner Oxygen Pressure in Solid Oxide Electrolysis Cells
One major degradation mechanism during long-term operation of solid oxide electrolysis cells (SOECs) is delamination of oxygen electrodes (OEs). The driving force for the electrode delamination could be the generated high inner oxygen pressure near the electrode-electrolyte interface during operation. However, the effects of transport properties and electrode thickness on the inner oxygen partial pressure are not well understood. Here, a microstructure-based electrochemical model which includes the conduction of electrons and oxygen ions coupled with Butler-Volmer-type chemical reactions at triple-phase-boundaries (TPBs), is employed to investigate the oxygen pressure in lanthanum strontium manganate (LSM)-based SOECs. The model is applied to both two-dimensional (2D) prototype microstructures and three-dimensional (3D) realistic microstructures, and the oxygen pressure is analyzed as a function of transport properties and electrode thickness under both potentiostatic and galvanostatic operations. The simulation results suggest strategies to suppress electrode delamination. The simulation results are compared to an analytical solution, and the discrepancies are attributed to the Butler-Volmer-type kinetics included in the microstructure-based model.
Xue, Fei↗
Integration of Solid Oxide Fuel Cell Systems Into Artificial Intelligence Data Centers
This report presents the results of a techno-economic analysis (TEA) that evaluates the economic benefits of integrating solid oxide fuel cell (SOFC) systems with artificial intelligence (AI) data centers. The analysis was completed in two phases: a scoping-level analysis was performed to identify impactful integration opportunities, followed by a more detailed TEA. Results show that, due to their modularity, SOFC can meet the 99.999% availability requirement of data centers with minimal additional costs. Heat integration via absorption chillers decreases data center electricity consumption at the tradeoff of increased water consumption. Higher SOFC exhaust temperatures are important for achieving larger electricity savings. Finally, power electronics integration with SOFC direct current electricity can reduce electricity consumption by 9 percent and reduce water consumption by 6.4 percent.
20 FOSSIL-FUELED POWER PLANTS↗
Mechanism of Cathodic Performance Enhancement by a Few-Nanometer-Thick Oxide Overcoat on Porous Pt Cathodes of Solid Oxide Fuel Cells
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Alireza Karimaghaloo↗