First-principles modeling of LaMnO₃ SOFC cathode material

Keyphrases

• LaMnO3 100%
• First-principles Method 100%
• SOFC Cathode Material 100%
• Molecular Oxygen 50%
• Gas Phase 50%
• Electron Density 50%
• Adsorption Sites 50%
• Oxygen Diffusion 50%
• Charge Transfer 50%
• Oxygen Binding Energy 50%
• Mn Ions 50%
• Cathode Surface 50%
• Migration Energy 50%
• Oxygen Adsorption 50%
• First-principles DFT 50%
• O Vacancy 50%
• Surface Migration 50%
• O Atom 50%
• Atomic Oxygen 50%
• O2 Molecule 50%
• Dissociative Adsorption 50%
• Defect-free Surface 50%
• Plane Wave 50%
• Supercell Calculations 50%
• (001) Surface 50%
• Adsorbed O2 50%
• Solid Oxide Fuel Cell Cathode 50%

Physics

• First Principle 100%
• Vapor Phase 50%
• Fuel Cell 50%
• Binding Energy 50%
• Density Functional Theory 50%
• Plane Wave 50%

Material Science

• Cathode Material 100%
• Surface (Surface Science) 100%
• Cathode 40%
• Density 20%
• Oxide Compound 20%