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Missouri University of Science and Technology
<p>Density functionals<br />Hydrogen -- Storage<br />Transition metals</p>
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Dft Investigations Of Hydrogen Storage Materials, Gang Wang
Dft Investigations Of Hydrogen Storage Materials, Gang Wang
Doctoral Dissertations
"Hydrogen serves as a promising new energy source having no pollution and abundant on earth. However the most difficult problem of applying hydrogen is to store it effectively and safely, which is smartly resolved by attempting to keep hydrogen in some metal hydrides to reach a high hydrogen density in a safe way. There are several promising metal hydrides, the thermodynamic and chemical properties of which are to be investigated in this dissertation.
Sodium alanate (NaAlH4) is one of the promising metal hydrides with high hydrogen storage capacity around 7.4 wt. % and relatively low decomposition temperature of …