Density functional theory study of the effect of 3d and 4d transition metals on NaMgH ₃ complex metal hydride for hydrogen storage applications

Engineering & Materials Science

• Metal complexes 100%
• Density functional theory 91%
• Transition metals 90%
• Hydrogen storage 78%
• Hydrides 77%
• Hydrogen 32%
• Sodium 21%
• Fuel cells 18%
• Hydrogen economy 15%
• Desorption 11%
• Molecular dynamics 11%
• Doping (additives) 11%
• Climate change 11%
• Discrete Fourier transforms 11%
• Activation energy 10%
• Substitution reactions 10%
• Adsorption 9%
• Impurities 9%
• Thermodynamics 8%
• Temperature 8%
• Carbon 7%

Chemical Compounds

• Metal Hydride 74%
• Transition Element 44%
• Hydrogen 31%
• Additive 27%
• Energy 19%
• Application 19%
• Slab Like Crystal 15%
• Surface 10%
• Plane Wave 9%
• Cohesive Energy 8%
• Sodium Atom 8%
• Purity 6%
• Hydride 5%
• Desorption 5%
• Molecular Dynamics 5%
• Dissociation 4%
• Reaction Activation Energy 4%
• Block Like Crystal 4%
• Substitution Reaction 4%
• Density Functional Theory 4%
• Thermodynamics 4%
• Adsorption 3%