First-principles computational discovery of materials for hydrogen storage

Keyphrases

• First-principles 100%
• Hydrogen Storage 100%
• Computational Discovery 100%
• Hydrogen Release 100%
• Hydrides 66%
• Atomic Scale 33%
• Solid State 33%
• Phase Transformation 33%
• Density Functional Calculations 33%
• Reaction Pathway 33%
• Thermodynamic Kinetics 33%
• Phase Diagram 33%
• Systems-based 33%
• Storage System 33%
• Hydrogen Storage Materials 33%
• Lightweight Materials 33%
• Multi-component System 33%
• Density Functional Theory (DFT) Calculations 33%
• Hydrogen-fueled Vehicle 33%
• Metal Hydride 33%
• Fast Kinetics 33%
• Diffusion Kinetics 33%
• Complex Hydrides 33%
• H2 Storage 33%
• Diffusion Phase 33%

Material Science

• Hydride 100%
• Density 66%
• Hydrogen Storage Material 33%
• Metal Hydride 33%
• Crystal Structure 33%