Why Li doping in MOFs enhances H₂ storage capacity? A multi-scale theoretical study

Engineering & Materials Science

• Metal-Organic Frameworks 100%
• Doping (additives) 68%
• Atoms 63%
• Hydrogen storage 52%
• Density functional theory 30%
• Molecules 20%
• Hydrogen 16%

Physics & Astronomy

• hydrogen 37%
• metals 31%
• atoms 31%
• density functional theory 15%
• molecules 10%
• interactions 8%
• simulation 7%
• energy 6%

Chemical Compounds

• Metal Organic Framework 53%
• Hydrogen 31%
• Monte Carlo Method 21%
• Density Functional Theory 12%
• Pressure 11%
• Energy 9%
• Molecule 7%