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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Materials for Sustainable Hydrogen Energy
Presentation Title Effect of Y Doping on Proton Conductivity of BaCo0.4Fe0.4Zr0.2-xYxO3-Δ (BCFZY) Proton Ceramic Fuel Cell (PCFC) Cathodes
Author(s) Chiyoung Kim
On-Site Speaker (Planned) Chiyoung Kim
Abstract Scope Protonic ceramic fuel cells (PCFCs) were designed to operate at lower temperatures (400–700°C) than solid oxide fuel cells (SOFCs, 800–1000°C), aiming to avoid severe challenges of SOFCs including material degradation and reduced energy conversion efficiency. However, current PCFC performance still falls short of the SOFC performance due to sluggish oxygen reduction reaction (ORR) kinetics at the cathode. Enhancing the reaction kinetics necessitates the development of a cathode with high proton conductivity. Doping with yttrium (Y) in perovskite material has been a potential solution for enhancing proton conductivity in cathode materials. Our study examined effect of Y doping on BCFZY's proton conductivity using density functional theory (DFT) and thermodynamic defect models. Results indicate Y doping slightly impacts proton diffusion, alters proton uptake, and increases hydrogen concentration. This study provides insights for designing high-performance BCFZY materials or perovskite materials for PCFCs that contain redox-inactive acceptor dopants like Y.
Proceedings Inclusion? Planned:
Keywords Energy Conversion and Storage, Computational Materials Science & Engineering, Modeling and Simulation

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A coupled crystal plasticity-Hydrogen Adsorption-Diffusion-Desorption Model for Investigating Hydrogen Retention in Austenitic Steel
Adsorption and dissociation of hydrogen on doped iron surfaces under supercritical conditions
Assessing the Hydrogen Storage Performance of a Novel (miniaturized) Metal-Hydride Bed System.
Atomic scale hydrogen characterisation using atom probe tomography.
Attempt to synthesize aluminum hydride using hydrogen plasma
Boosting Hydrogen Production and Wastewater Treatment: An Exploration of Bi-functional rGO-enhanced Basic CeO2 Nanomaterials Catalysts
Computational Insights into Hydrogen Adsorption and Separation on Pd-Pt Alloy Membranes
Decomposition and Decelerated Grain Growth of the Nanostructured High Entropy Alloy TiVZrNbHf under Hydrogen
Density functional theory study on the influence of solute elements on the efficiency of Mg2Ni hydrogen storage alloys
Effect of MgH2 on High Entropy Alloys for Energy Application
Effect of Y Doping on Proton Conductivity of BaCo0.4Fe0.4Zr0.2-xYxO3-Δ (BCFZY) Proton Ceramic Fuel Cell (PCFC) Cathodes
Effect on hydrogen trapping in laser welded advanced high strength steels
Environmental degradation of Ni-based superalloys in hydrogen-based combustion systems
Fe-W foams as energy storage materials
Fundamental atomistic study of H-defect interactions to predict H segregation energy spectra
High-entropy Transition Metal Carbides: 2D Materials with Tunable Catalytic Activity
High Performance Electrocatalysts for Anion-Exchange Membrane Electrolyzer Through Acoustic Cavitation
High Temperature Hydrogen Degradation of Structural Materials of Nuclear-Hydrogen Generating Systems
Highly Durable and Efficient Anion Exchange Membrane Water Electrolyzer using One-Step Fabrication of the Integrated Electrode by the Hot-Press Process
Hydrogen embrittlement mechanisms and mitigation strategy in a high-Mn and high-Al two-phase lightweight steel
Hydrogen Release Mechanism of MgH2 Doped with Fe-Rich Additives
Influence of lattice volume on the hydride stability of Al-Ti-V-Cr-Nb bcc-structured multicomponent alloys
Influence of temperature on hydrogen-induced damage behavior of Ni-based alloys
Investigation of Hydrogen Embrittlement Effect Using Ex-situ Impact and In-situ Slow Rate Charpy Tests on an X65 Steel and Weld
Leveraging macroscale experiments to elucidate microscale insights into hydrogen concentration effects on plastic deformation in structural metals
Manipulating the Location of Hydride in α/β Titanium Alloy
Microscopic Characterization of Hydrogen Distribution and Hydrogen Embrittlement in Steels
Microstructure impacts on H uptake kinetics in polycrystalline microstructures for solid-state H storage materials
Modeling Hydrogen Influence on Ni201 Plastic Behavior and Calibration using Coupon-based and in-situ X-ray Diffraction Microscopy Experimental Data
New characterisation methods for high pressure hydrogen facing materials
Non-PGM Based Binder Free Electrode for Anion Exchange Membrane Water Electrolyzer
NUMERICAL MODELING OF CAVITY GROWTH RESULTING FROM RAPID GAS DECOMPRESSION :
Role of Cyclic Predeformation on Hydrogen Embrittlement in an Austenitic Stainless Steel
Size and Shape Dependence of Hydrogen-Induced Phase Transformation and Sorption Hysteresis in Palladium Nanoparticles
Temperature dependence of hydrogen embrittlement mechanisms in a medium entropy alloy
The less known impact of high temperature (> 400 °C) hydrogen induced degradation of steels and Ni-based alloys
Thiophene-Based Organofluid for Hydrogen Production - Electronic, Energy and Environmental Properties, Role of Halogen Substitution, Polymer and Nano-Metal Interactions.
Ti-Fe-O duplex hydrogen storage alloys for activation-free hydrogenation
“Plasma-treated transition metal dichalcogenide nanoparticles for efficient hydrogen evolution reaction

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