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    • Ab-INITIO STUDY OF Fe-Ti ALLOYS FOR HIGH CAPACITY HYDROGEN STORAGE 

      KHADRAOUI, A; BENTAYEB, F. Z (Université des Frères Mentouri Constantine, 2013-12-16)
      This work presents a preliminary study of the structural and electronic properties of Fe, Ti, H and their alloys by means of the density functional theory (DFT) pseudopotential code SIESTA (Spanish Initiative for Electronic ...