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Keywords = solid oxide cells (SOCs)

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29 pages, 5626 KB  
Article
High-Efficiency Synthetic Natural Gas and Decarbonised Power Production from Biogenic Waste: Simulation, Energy Analysis and Thermal Optimisation of the Integrated System
by Juan D. Palacios, Alessandro A. Papa, Armando Vitale, Emanuele Di Bisceglie, Andrea Di Carlo and Enrico Bocci
Energies 2026, 19(8), 1887; https://doi.org/10.3390/en19081887 - 13 Apr 2026
Viewed by 551
Abstract
This study presents a fully integrated process for the flexible conversion of biogenic waste into synthetic natural gas (bio-SNG) and electricity centred on a 100 kWth dual concentric bubbling fluidised bed steam gasifier. The raw syngas is processed in a high-temperature gas cleaning [...] Read more.
This study presents a fully integrated process for the flexible conversion of biogenic waste into synthetic natural gas (bio-SNG) and electricity centred on a 100 kWth dual concentric bubbling fluidised bed steam gasifier. The raw syngas is processed in a high-temperature gas cleaning section, and the resulting clean, H2-rich syngas is directed to three alternative downstream configurations: (i) conventional methanation, (ii) enhanced methanation with external H2 supplied by a reversible solid oxide cell (rSOC), and (iii) electricity generation via the same rSOC operating in fuel cell mode. The overall process is modelled in Aspen Plus, in which the gasification section is constrained by experimentally derived syngas data, while downstream units are described through thermodynamic and kinetics-based models. Methanation is simulated using a plug-flow reactor model based on validated kinetic expressions, while the rSOC operating in electrolysis and fuel cell mode is modelled using performance parameters of commercial stacks. A plant-wide heat integration strategy based on composite curve analysis is implemented to maximise internal heat recovery and minimise external utilities. The enhanced methanation configuration enables the production of bio-SNG with high methane content (up to 93.3 vol.% dry, N2-free), with a yield 0.72 kg/kgBiomass and a fuel efficiency of 70.1%. In electricity production mode, the system reaches an electrical efficiency of 43.1% with complete elimination of auxiliary fuel through thermal integration. These results demonstrate the capability of a single integrated plant to flexibly switch between fuel synthesis and power generation, enhancing adaptability to fluctuating electricity and methane market conditions while maintaining high efficiency. Full article
(This article belongs to the Special Issue Recent Advances in Biomass Energy Utilization and Conversion)
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20 pages, 2297 KB  
Article
Development of a 1D Finite-Volume Model for the Simulation of Solid Oxide Fuel Cells
by Alberto Cammarata, Paolo Colbertaldo and Stefano Campanari
Energies 2026, 19(4), 1023; https://doi.org/10.3390/en19041023 - 15 Feb 2026
Viewed by 586
Abstract
This work presents the development and validation of a 1D finite-volume model for the simulation of planar solid oxide cells (SOCs), developed for integration in more complex systems and process simulations. The model allows to investigate the temperature, composition, and current density profiles [...] Read more.
This work presents the development and validation of a 1D finite-volume model for the simulation of planar solid oxide cells (SOCs), developed for integration in more complex systems and process simulations. The model allows to investigate the temperature, composition, and current density profiles along the channel. In this work, the Fick’s equations typically used to calculate the concentration overpotential due to H2 and H2O diffusion in the electrode are improved compared to 1D SOC models available in the literature. In particular, the approximate analytical solution of the dusty gas model (DGM) equations allows for a better definition of H2 and H2O mixture diffusion coefficients, which are relevant, for instance, in the case of solid oxide fuel cells (SOFCs) fed with reformate gas mixtures. Differently from other 1D models available in the literature, the model developed is validated using experimental SOFC polarization curves covering a wide range of operating conditions in terms of molar fraction of H2 (21–93%) and H2O (7–50%) in the fuel, temperature (550–750 °C), and fuel utilization factor (exceeding 90%), demonstrating that 1D SOC models retain a good description of the physical processes occurring within the cell. While this work focuses on a co-flow SOFC configuration, the model can simulate a counter-flow configuration and electrolysis operation without modifying the model equations. Full article
(This article belongs to the Section D2: Electrochem: Batteries, Fuel Cells, Capacitors)
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49 pages, 17709 KB  
Review
Scoping Review of Potentials to Optimize Planar Solid Oxide Cell Designs for Use in Fuel Cell and Electrolysis Applications
by Bernhard Malicek, Friedrich-Wilhelm Speckmann, Marc Entenmann and Kai Peter Birke
Energies 2025, 18(24), 6420; https://doi.org/10.3390/en18246420 - 8 Dec 2025
Cited by 1 | Viewed by 747
Abstract
This scoping review evaluates the literature on options for planar solid oxide cell (SOC) performance optimization, with a focus on applied fabrication methods and design enhancements. Literature identification, selection, and charting followed PRISMA-ScR guidelines to ensure transparency, reproducibility, and comprehensive coverage, while also [...] Read more.
This scoping review evaluates the literature on options for planar solid oxide cell (SOC) performance optimization, with a focus on applied fabrication methods and design enhancements. Literature identification, selection, and charting followed PRISMA-ScR guidelines to ensure transparency, reproducibility, and comprehensive coverage, while also enabling the identification of research gaps beyond the scope of narrative reviews. We analyze the influence of fabrication methods on cell and component characteristics and evaluate optimization approaches identified in the literature. Subsequent discussion explores how design innovations intersect with fabrication choices. The surveyed literature reveals a broad spectrum of manufacturing methods, including conventional processes, thin-film deposition, infiltration, and additive manufacturing. Our critical assessment of scalability revealed that reduction in operating temperature, improving robustness, and electrochemical performance are the main optimization objectives for SOC designs. Regarding production cost, production scale-up, and process control, inkjet, electrophoretic deposition, and solution aerosol thermolysis appeared to be promising manufacturing methods for design enhancements. By combining the PRISMA-ScR evidence map with a synthesis focused on scalability and process control, this review provides practical insights and a strong foundation for future SOC research and scale-up, also for evolving the field of proton-conducting cells. Full article
(This article belongs to the Section D2: Electrochem: Batteries, Fuel Cells, Capacitors)
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37 pages, 4553 KB  
Review
Advances in Nanostructured Electrodes for Solid Oxide Cells by Infiltration or Exsolution
by Mingyue Dai, Futao Li, Shujuan Fang, Dedong He, Jichang Lu, Yu Zhang, Xiaohua Cao, Jiangping Liu, Dingkai Chen and Yongming Luo
Materials 2025, 18(8), 1802; https://doi.org/10.3390/ma18081802 - 15 Apr 2025
Cited by 7 | Viewed by 3483
Abstract
Solid oxide cells (SOCs) are highly efficient and versatile devices capable of utilizing a variety of fuels, presenting promising solutions for energy conversion and renewable resource utilization. There is an urgent need for the strategic design of robust and high-efficiency materials to enhance [...] Read more.
Solid oxide cells (SOCs) are highly efficient and versatile devices capable of utilizing a variety of fuels, presenting promising solutions for energy conversion and renewable resource utilization. There is an urgent need for the strategic design of robust and high-efficiency materials to enhance both conversion and energy efficiencies before SOCs can be applied for large-scale industrial production. Nanocomposite electrodes, especially those fabricated through infiltration and metal nanoparticle exsolution, have emerged as highly active electrocatalytic materials that significantly improve the performance and durability of SOCs. This review systematically summarizes and analyzes recent advances in the nanoscale architecture of electrode materials fabricated via common nanoengineering strategies, including infiltration and in situ exsolution, with applications in CO2/H2O reduction, hydrocarbon electrochemical oxidation, solid oxide fuel cells, and reversible operation. Finally, this review highlights existing bottlenecks and promising breakthroughs in common nanotechnologies, aiming to provide useful references for the rational design of nanomaterials for SOCs. Full article
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17 pages, 6090 KB  
Article
Optimising the Selective Leaching and Recovery of Cobalt, Lanthanum, and Strontium for Recycling End-of-Life Solid Oxide Cells
by Martina Bruno, Sofia Saffirio, Federico Smeacetto, Sonia Fiorilli and Silvia Fiore
Batteries 2025, 11(4), 124; https://doi.org/10.3390/batteries11040124 - 25 Mar 2025
Cited by 2 | Viewed by 1263
Abstract
This study explored the selective recovery of Co, La, and Sr from end-of-life solid oxide cells (SOCs) using ultrasound-assisted leaching in HCl. HCl concentration (1, 5, and 10 M) and solid-to-liquid ratio (S/L, 100 and 200 g/L) were varied to optimize the efficiency [...] Read more.
This study explored the selective recovery of Co, La, and Sr from end-of-life solid oxide cells (SOCs) using ultrasound-assisted leaching in HCl. HCl concentration (1, 5, and 10 M) and solid-to-liquid ratio (S/L, 100 and 200 g/L) were varied to optimize the efficiency and the selectivity of Co, La, and Sr leaching. Then, they were recovered as oxalates at pH 0.7, 1, and 4. Using 10 M HCl and an S/L ratio of 100 g/L on ball-milled samples achieved 96–99% leaching efficiency but led to Ni impurities from the underneath layers. Thermal pre-treatment at 800 °C decreased Ni leaching by 90% but decreased target metals’ recovery by 9%. Direct leaching (without pre-treatments) with 1 M HCl and an S/L ratio of 200 g/L achieved up to 91% leaching efficiency, recovering 42% of Co, 93% of La, and 33% of Sr with minimal Ni impurities. A preliminary economic analysis indicated that avoiding pre-treatments can cut expenses by 96%. An economic analysis indicated that direct leaching is the most cost effective, reducing expenses by up to 96% compared to thermal pre-treatment and high HCl concentrations. This study highlights the potential for an efficient and cost-effective method for recycling Co, La, and Sr from EoL SOCs. Full article
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25 pages, 4046 KB  
Review
A Review of Nanofiber Electrodes and the In Situ Exsolution of Nanoparticles for Solid Oxide Cells
by Jakub Lach, Michał Gogacz, Piotr Winiarz, Yihan Ling, Mingjiong Zhou and Kun Zheng
Materials 2025, 18(6), 1272; https://doi.org/10.3390/ma18061272 - 13 Mar 2025
Cited by 5 | Viewed by 2646
Abstract
Solid oxide cells (SOCs) can operate efficiently in solid oxide fuel cell (SOFC) and/or solid oxide electrolysis cell (SOEC) modes, and are one of the most promising electrochemical devices for energy conversion and storage, facilitating the integration of renewable energies with the electric [...] Read more.
Solid oxide cells (SOCs) can operate efficiently in solid oxide fuel cell (SOFC) and/or solid oxide electrolysis cell (SOEC) modes, and are one of the most promising electrochemical devices for energy conversion and storage, facilitating the integration of renewable energies with the electric grid. However, the SOC electrodes suffer performance and stability issues, especially in the case of fuel electrodes when SOCs are fueled by cheaper and more available fuels such as methane and natural gas. Typical Ni-YSZ cermet fuel electrodes suffer problems of coarsening, carbon deposition, and sulfur poisoning. Therefore, developing new electrodes using novel design strategies for SOCs is crucial. In this review work, the fuel electrode development strategies including the in situ exsolution of nanoparticles, multi-elemental nanocatalysts, and nanofiber materials have been reviewed and summarized for the design of new electrodes for SOCs. Nanofiber electrodes with in situ exsolved nanoparticles, which combine the advantages of a unique nanofiber microstructure and stable and active exsolved nanoparticles, are of great interest and significantly contribute to the development of high-performance fuel electrodes for SOCs. Full article
(This article belongs to the Special Issue Advanced Nanomaterials and Nanocomposites for Energy Conversion)
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14 pages, 3398 KB  
Article
CFD and Artificial Intelligence-Based Machine Learning Synergy for the Assessment of Syngas-Utilizing Pre-Reformer in r-SOC Technology Advancement
by Murphy M. Peksen
Appl. Sci. 2024, 14(22), 10181; https://doi.org/10.3390/app142210181 - 6 Nov 2024
Cited by 6 | Viewed by 2487
Abstract
This study demonstrates the significant advantages of integrating computational fluid dynamics (CFD) with artificial intelligence (AI)-based machine learning (ML) to optimize the pre-reforming process for reversible solid oxide cell (r-SOC) technologies. It places a distinct focus on the relationship between process variables, aiming [...] Read more.
This study demonstrates the significant advantages of integrating computational fluid dynamics (CFD) with artificial intelligence (AI)-based machine learning (ML) to optimize the pre-reforming process for reversible solid oxide cell (r-SOC) technologies. It places a distinct focus on the relationship between process variables, aiming to enhance the preparation of quality r-SOC-ready fuel, which is an indispensable element for successful operation. Evaluating the intricate thermochemistry of syngas-containing reforming processes involves employing an experimentally validated CFD model. The model serves as the foundation for gathering essential data, crucial for the development and training of AI-based machine learning models. The developed model forecasts and optimizes reforming processes across diverse fuel compositions, encompassing oxygen-containing syngas blends and controlled feedstock outlet process conditions. Impressively, the model’s predictions align closely with CFD outcomes with an error margin as low as 0.34%, underscoring its accuracy and reliability. This research significantly contributes to a deeper understanding and the qualitative enhancement of preparing high-quality syngas for SOC under improved process conditions. Enabling the early availability of valuable information drives forward sustainable research and ensures the safe, consistent operation assessment of r-SOC. Additionally, this strategic approach substantially reduces the need for resource-intensive experiments. Full article
(This article belongs to the Special Issue Artificial Intelligence (AI) for Energy Systems)
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16 pages, 4144 KB  
Article
Evaluation of Pore-Former Size and Volume Fraction on Tape Cast Porous 430 Stainless Steel Substrates for Plasma Spraying
by Yifei Yan and Olivera Kesler
Materials 2024, 17(22), 5408; https://doi.org/10.3390/ma17225408 - 5 Nov 2024
Cited by 3 | Viewed by 1860
Abstract
Porous 430L stainless steel disks made by tape casting with various pore-former sizes and volume fractions were evaluated as substrates for solid oxide cell (SOC) fabrication by plasma spraying. This work reports the substrate properties relevant to the SOC operation of disks made [...] Read more.
Porous 430L stainless steel disks made by tape casting with various pore-former sizes and volume fractions were evaluated as substrates for solid oxide cell (SOC) fabrication by plasma spraying. This work reports the substrate properties relevant to the SOC operation of disks made by using extra fine metal powder with dense sintering to minimize the fine porosity between particles. In contrast, the coarse porosity is introduced by the pore former. We found that the 60 μm pore former at a 45 vol% fraction has the best application fit; it gives an adequate gas permeability of 3.11 × 10−13 m2 and an average open pore size of 45.90 μm. Compared to a commercial substrate with a similar porosity perimeter/steel area ratio, the porosity and gas permeability are 1.6 and 3 times higher, respectively. The detected maximum surface pore is 49 μm, allowing gas-tight electrolytes fabricated by plasma spray deposition. Full article
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27 pages, 2743 KB  
Review
Exploring the Potential of Cold Sintering for Proton-Conducting Ceramics: A Review
by Andrea Bartoletti, Elisa Mercadelli, Angela Gondolini and Alessandra Sanson
Materials 2024, 17(20), 5116; https://doi.org/10.3390/ma17205116 - 19 Oct 2024
Cited by 10 | Viewed by 7024
Abstract
Proton-conducting ceramic materials have emerged as effective candidates for improving the performance of solid oxide cells (SOCs) and electrolyzers (SOEs) at intermediate temperatures. BaCeO3 and BaZrO3 perovskites doped with rare-earth elements such as Y2O3 (BCZY) are well known [...] Read more.
Proton-conducting ceramic materials have emerged as effective candidates for improving the performance of solid oxide cells (SOCs) and electrolyzers (SOEs) at intermediate temperatures. BaCeO3 and BaZrO3 perovskites doped with rare-earth elements such as Y2O3 (BCZY) are well known for their high proton conductivity, low operating temperature, and chemical stability, which lead to SOCs’ improved performance. However, the high sintering temperature and extended processing time needed to obtain dense BCZY-type electrolytes (typically > 1350 °C) to be used as SOC electrolytes can cause severe barium evaporation, altering the stoichiometry of the system and consequently reducing the performance of the final device. The cold sintering process (CSP) is a novel sintering technique that allows a drastic reduction in the sintering temperature needed to obtain dense ceramics. Using the CSP, materials can be sintered in a short time using an appropriate amount of a liquid phase at temperatures < 300 °C under a few hundred MPa of uniaxial pressure. For these reasons, cold sintering is considered one of the most promising ways to obtain ceramic proton conductors in mild conditions. This review aims to collect novel insights into the application of the CSP with a focus on BCZY-type materials, highlighting the opportunities and challenges and giving a vision of future trends and perspectives. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
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33 pages, 3665 KB  
Review
Role of Sintering Aids in Electrical and Material Properties of Yttrium- and Cerium-Doped Barium Zirconate Electrolytes
by Shivesh Loganathan, Saheli Biswas, Gurpreet Kaur and Sarbjit Giddey
Processes 2024, 12(10), 2278; https://doi.org/10.3390/pr12102278 - 18 Oct 2024
Cited by 9 | Viewed by 5502
Abstract
Ceramic proton conductors have the potential to lower the operating temperature of solid oxide cells (SOCs) to the intermediate temperature range of 400–600 °C. This is attributed to their superior ionic conductivity compared to oxide ion conductors under these conditions. However, prominent proton-conducting [...] Read more.
Ceramic proton conductors have the potential to lower the operating temperature of solid oxide cells (SOCs) to the intermediate temperature range of 400–600 °C. This is attributed to their superior ionic conductivity compared to oxide ion conductors under these conditions. However, prominent proton-conducting materials, such as yttrium-doped barium cerates and zirconates with specified compositions like BaCe1−xYxO3−δ (BCY), BaZr1−xYxO3−δ (BZY), and Ba(Ce,Zr)1−yYyO3−δ (BCZY), face significant challenges in achieving dense electrolyte membranes. It is suggested that the incorporation of transition and alkali metal oxides as sintering additives can induce liquid phase sintering (LPS), offering an efficient method to facilitate the densification of these proton-conducting ceramics. However, current research underscores that incorporating these sintering additives may lead to adverse secondary effects on the ionic transport properties of these materials since the concentration and mobility of protonic defects in a perovskite are highly sensitive to symmetry change. Such a drop in ionic conductivity, specifically proton transference, can adversely affect the overall performance of cells. The extent of variation in the proton conductivity of the perovskite BCZY depends on the type and concentration of the sintering aid, the nature of the sintering aid precursors used, the incorporation technique, and the sintering profile. This review provides a synopsis of various potential sintering techniques, explores the influence of diverse sintering additives, and evaluates their effects on the densification, ionic transport, and electrochemical properties of BCZY. We also report the performance of most of these combinations in an actual test environment (fuel cell or electrolysis mode) and comparison with BCZY. Full article
(This article belongs to the Section Chemical Processes and Systems)
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20 pages, 1519 KB  
Article
Transported Entropy of Ions and Peltier Coefficients in 8YSZ and 10Sc1CeSZ Electrolytes for Solid Oxide Cells
by Aydan Gedik and Stephan Kabelac
Entropy 2024, 26(10), 872; https://doi.org/10.3390/e26100872 - 17 Oct 2024
Viewed by 1657
Abstract
In this study, the transported entropy of ions for 8YSZ and 10Sc1CeSZ electrolytes was experimentally determined to enable precise modeling of heat transport in solid oxide cells (SOCs). The Peltier coefficient, crucial for thermal management, was directly calculated, highlighting reversible heat transport effects [...] Read more.
In this study, the transported entropy of ions for 8YSZ and 10Sc1CeSZ electrolytes was experimentally determined to enable precise modeling of heat transport in solid oxide cells (SOCs). The Peltier coefficient, crucial for thermal management, was directly calculated, highlighting reversible heat transport effects in the cell. While data for 8YSZ are available in the literature, providing a basis for comparison, the results for 10Sc1CeSZ show slightly smaller Seebeck coefficients but higher transported ion entropies. Specifically, at 700°C and an oxygen partial pressure of pO2=0.21 bar, values of SO2*=52±10 J/K·F for 10Sc1CeSZ and SO2*=48±9 J/K·F for 8YSZ were obtained. The transported entropy was also validated through theoretical calculations and showed minimal deviations when comparing different cell operation modes (O2||O2−||O2 and H2, H2O||O2−||O2). The influence of the transported entropy of the ions on the total heat generation and the partial heat generation at the electrodes is shown. The temperature has the greatest influence on heat generation, whereby the ion entropy also plays a role. Finally, the Peltier coefficients of 8YSZ for all homogeneous phases agree with the literature values. Full article
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12 pages, 4509 KB  
Article
Effects of Storage Voltage upon Sodium-Ion Batteries
by Tengfei Song, Brij Kishore, Yazid Lakhdar, Lin Chen, Peter R. Slater and Emma Kendrick
Batteries 2024, 10(10), 361; https://doi.org/10.3390/batteries10100361 - 11 Oct 2024
Cited by 9 | Viewed by 6589
Abstract
Sodium-ion batteries (SIBs) are gaining attention as a safer, more cost-effective alternative to lithium-ion batteries (LIBs) due to their use of abundant and non-critical materials. A notable feature of SIBs is their ability to utilize aluminum current collectors, which are resistant to oxidation, [...] Read more.
Sodium-ion batteries (SIBs) are gaining attention as a safer, more cost-effective alternative to lithium-ion batteries (LIBs) due to their use of abundant and non-critical materials. A notable feature of SIBs is their ability to utilize aluminum current collectors, which are resistant to oxidation, allowing for safer storage at 0 V. However, the long-term impacts of such storage on their electrochemical performance remain poorly understood. This study systematically investigates how storage conditions at various states of charge (SOCs) affect open circuit voltage (OCV) decay, internal resistance, and post-storage cycling stability in two different Na-ion chemistries: Prussian white//hard carbon and layered oxide//hard carbon. Electrochemical Impedance Spectroscopy before and after storage shows a pronounced increase in internal resistance and a corresponding decline in cycling performance when SIBs are stored in a fully discharged state (0 V), particularly for layered oxide-based cells, illustrating the sensitivity of different SIB chemistries to storage conditions. Additionally, a novel reformation protocol is proposed that reactivates cell capacity by rebuilding the solid electrolyte interphase (SEI) layer, offering a recovery path after prolonged storage. These insights into the long-term storage effects on SIBs provide new guidelines for optimizing storage and transport conditions to minimize performance degradation, making them more viable for commercial applications. Full article
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17 pages, 2221 KB  
Article
Toxicity Assessment of Gas, Solid and Liquid Emissions from Li-Ion Cells of Different Chemistry Subjected to Thermal Abuse
by Sofia Ubaldi and Paola Russo
Energies 2024, 17(17), 4402; https://doi.org/10.3390/en17174402 - 3 Sep 2024
Cited by 6 | Viewed by 2634
Abstract
Lithium-ion batteries (LIBs) are employed in a range of devices due to their high energy and power density. However, the increased power density of LIBs raises concerns regarding their safety when subjected to external abuse. The thermal behavior is influenced by a number [...] Read more.
Lithium-ion batteries (LIBs) are employed in a range of devices due to their high energy and power density. However, the increased power density of LIBs raises concerns regarding their safety when subjected to external abuse. The thermal behavior is influenced by a number of factors, i.e., the state of charge (SoC), the cell chemistry and the abuse conditions. In this study, three distinct cylindrical Li-ion cells, i.e., lithium nickel cobalt aluminum oxide (NCA), lithium titanate oxide (LTO), and lithium iron phosphate (LFP), were subjected to thermal abuse (heating rate of 5 °C/min) in an air flow reactor, with 100% SoC. Venting and thermal runaway (TR) were recorded in terms of temperature and pressure, while the emitted products (gas, solid, and liquid) were subjected to analysis by FT-IR and ICP-OES. The concentrations of the toxic gases (HF, CO) are significantly in excess of the Immediate Danger to Life or Health Limit (IDLH). Furthermore, it is observed that the solid particles are the result of electrode degradation (metallic nature), whereas the liquid aerosol is derived from the electrolyte solvent. It is therefore evident that in the event of a LIB fire, in order to enhance the safety of the emergency responders, it is necessary to use appropriate personal protective equipment (PPE) in order to minimize exposure to toxic substances, i.e., particles and aerosol. Full article
(This article belongs to the Section B: Energy and Environment)
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9 pages, 2905 KB  
Article
Ab Initio Investigation of Oxygen Ion Diffusion in the Layered Perovskite System YSr2Cu2FeO7+δ (0 < δ < 1)
by Marianela Gómez-Toledo and Elena M. Arroyo-de Dompablo
Appl. Sci. 2024, 14(15), 6586; https://doi.org/10.3390/app14156586 - 27 Jul 2024
Cited by 5 | Viewed by 2132
Abstract
Extensive research on transition metal perovskite oxides as electrodes in solid oxide cells (SOC) has highlighted the potential ability of Fe-based perovskite oxides to catalyze oxygen reduction/evolution reactions (ORR/OER). The layered perovskite-type system YSr2Cu2FeO7+δ has been reported to [...] Read more.
Extensive research on transition metal perovskite oxides as electrodes in solid oxide cells (SOC) has highlighted the potential ability of Fe-based perovskite oxides to catalyze oxygen reduction/evolution reactions (ORR/OER). The layered perovskite-type system YSr2Cu2FeO7+δ has been reported to possess attractive electrocatalytic properties. This work applies density functional theory (DFT) calculations to investigate oxygen ion diffusion in the YSr2Cu2FeO7+δ system. For δ = 0.5, it is found that in the most stable configuration, the oxygen vacancies in the FeO1+δ plane are arranged to form Fe ions in tetrahedral, square pyramid, and octahedral coordination. Ab initio molecular dynamics (AIMD) simulations for YSr2Cu2FeO7.5 (δ = 0.5) yield an oxygen ion diffusion coefficient of 1.28 × 10−7 cm2/s at 500 °C (Ea = 0.37 eV). Complementary results for YSr2Cu2FeO7.2 (δ = 0.2) and YSr2Cu2FeO7.75 (δ = 0.75) indicate that the oxygen diffusion occurs in the FeO1+δ plane, and depends on the oxygen vacancies distribution around the Fe centers. Full article
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19 pages, 3206 KB  
Article
Material and Performance Optimisation for Syngas Preparation Using Artificial Intelligence (AI)-Based Machine Learning (ML)
by Murphy M. Peksen
Hydrogen 2023, 4(3), 474-492; https://doi.org/10.3390/hydrogen4030032 - 25 Jul 2023
Cited by 9 | Viewed by 3113
Abstract
Working towards a more sustainable future with zero emissions, the International Future Laboratory for Hydrogen Economy at the Technical University of Munich (TUM) exhibits concerted efforts across various hydrogen technologies. The current research focuses on pre-reforming processes for high-quality reversible solid oxide cell [...] Read more.
Working towards a more sustainable future with zero emissions, the International Future Laboratory for Hydrogen Economy at the Technical University of Munich (TUM) exhibits concerted efforts across various hydrogen technologies. The current research focuses on pre-reforming processes for high-quality reversible solid oxide cell feedstock preparation. An AI-based machine learning model has been developed, trained, and deployed to predict and optimise the controlled utilisation of methane gas. Using a blend of design of experiments and a validated 3D computational fluid dynamics model, pre-reforming process data have been generated for various syngas mixtures. The results of this study indicate that it is possible to achieve a targeted methane utilisation rate of 20% while decreasing the amount of catalyst material by 11%. Furthermore, it was found that precise process parameters could be determined efficiently and with minimal resource consumption in order to achieve higher methane fuel utilisation rates of 25% and 30%. The machine learning model has been effectively employed to analyse and optimise the fuel outlet conditions of the pre-reforming process, contributing to a better understanding of high-quality syngas preparation and furthering sustainable research efforts for a safe reversible solid oxide cell (r-SOC) process. Full article
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