Models & Optimisation and Mathematical Analysis Journal
Volume 2, Numéro 2, Pages 54-58
2012-12-25

Electronic Properties Of Sral2h2 For Hydrogen Storage



Authors : Khodja Khadidja . Bouhadda Youcef .

Abstract

In this paper we report the SrAl2H2 electronic structure which is a zintl phase hydride in frame of the density functional theory (DFT) using the plane wave and pseudopotential method. We discuss the chemical bond nature using total and partial density of states (DOS) and also we calculated the enthalpy formation of the SrAl2H2, the phonon frequencies and the thermodynamic functions for hydrogen storage

Keywords

Hydrogen Storage, Zintl Phase, Metal Hydride, Electronic Properties, Density Functional Theory.

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