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 ...
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 ...
Continuous increase in global population and technology dependence has led to
extensive exploitation of non-renewable sources of energy like fossil fuels. Adverse
consequences on environment due to burning of fossil fuels ...
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). ...
Topological insulators (TIs) have attracted scienti c community in recent years
owing to their remarkable physical properties like bulk band inversion and exotic
surface states. In recent years, the search for novel ...
Discovering new materials is a key aspect of semiconductor physics for sustaining
the continuous progress and improvements in current electronic devices. The
discovery of the non-trivial topological phase was a deviation ...