Hydrogen storage properties of the pseudo binary laves phase (Sc1-xZrx)(Co1-yNiy)2 system

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  • Jonas Ångström, Ångström Laboratory, Inorganic Chemistry, Uppsala University, Sweden
  • Robert Johansson, Dept. of Physics & Astronomy, Uppsala University, Sweden
  • Line Holdt Rude, Denmark
  • Carsten Gundlach, Max IV Laboratory, Lund, Sweden
  • Ralph H. Scheicher, Dept. of Physics & Astronomy, Uppsala University, Sweden
  • Rajeev Ahuja, Dept. of Physics & Astronomy, Uppsala University, Sweden
  • Olle Eriksson, Dept. of Physics & Astronomy, Uppsala University, Sweden
  • Torben R. Jensen
  • M. Sahlberg, Ångström Laboratory, Inorganic Chemistry, Uppsala University, Sweden
The (ScZr)(CoNi) -H system has been studied using both experimental techniques and ab initio calculations. The material was synthesised through high temperature synthesis and characterised using powder XRD. Hydrogen absorption and desorption was studied in-situ using synchrotron radiation. Maximal storage capacity increased when Co replaced Ni and substitution of Sc for Zr increased the equilibrium pressure. Density functional based calculations reproduce the experimental trends in terms of cell parameters both for the non-hydrogenated systems as well as for the hydrogenated systems, and helped to quantitatively understand the observed hydrogen uptake properties.
Original languageEnglish
JournalInternational Journal of Hydrogen Energy
Volume38
Issue23
Pages (from-to)9772-9778
Number of pages7
ISSN0360-3199
DOIs
Publication statusPublished - 2013

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