First-principles density functional studies of high-performance hydrogen storage materials

Keyphrases

• High Performance 100%
• First-principles 100%
• Hydrogen Storage Materials 100%
• Density Functional Study 100%
• Hydrides 100%
• Ambient Temperature 50%
• Theoretical Method 50%
• Solid State 50%
• First-principles Calculations 50%
• Reaction Pathway 50%
• Phase Diagram 50%
• Ambient Pressure 50%
• Storage System 50%
• Amides 50%
• Lightweight Materials 50%
• Multi-component System 50%
• Borohydride 50%
• Hydrogen-fueled Vehicle 50%
• Heat Input 50%
• Gravimetric Density 50%
• Multiple Compounds 50%
• Alanate 50%
• Li-Mg-N-H 50%
• High Volumetric Density 50%
• Hydrogenation Reaction 50%
• Hydrogenation Enthalpy 50%

Chemistry

• Density Functional Theory 100%
• First Principle 100%
• Hydrogen 100%
• Crystal Structure 50%
• Borohydride 25%
• Hydrogenation 25%
• Lightweight Material 25%
• Enthalpy of Hydrogenation 25%
• Carboxamide 25%
• Gravimetric Analysis 25%
• Phase Diagrams 25%

Material Science

• Hydrogen Storage Material 100%
• Hydrogenation 100%
• Hydride 100%
• Density 100%
• Crystal Structure 100%