The objective of this thesis is to investigate the hydrogen storage properties of various metal decorated materials by using rst principles calculations based on density functional theory (DFT). An increasing energy ...

Hydrogen is an ecofriendly and affordable alternative for fossil fuels. Storage of hydrogen with high hydrogen weight percentage is the prime obstacle to use it as a fuel. The hydrogen storage capacity in Ti functionalized ...

Hydrogen is an ecofriendly and affordable alternative for fossil fuels. Storage of hydrogen with high hydrogen weight percentage is the prime obstacle to use it as a fuel. The hydrogen storage capacity in Ti functionalized ...

The objective of this thesis is to investigate the hydrogen adsorption properties and mechanism in various metal functionalized materials by using rst principle calculations based on density functional theory (DFT). ...