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 ...

Complex metal hydride is a promising hydrogen storage material for automobile applications due to its reversible storage capacity. The presence of transition metal halide is found to improve significantly the kinetics of ...

Hydrogen is considered as a future energy source for automobile industry. Hydrogen storage is the main hurdle in achieving this goal. This thesis is directed towards the fundamental study of exploring new hydrogen storage ...