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

Research output: Contribution to journalArticle


The (Sc1-xZrx)(Co1-yNiy)(2)-H-z 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. Copyright (C) 2013, The Authors. Published by Elsevier Ltd. All rights reserved.


  • Jonas Angstrom
  • Robert Johansson
  • Line Holdt Rude
  • Carsten Gundlach
  • Ralph H. Scheicher
  • Rajeev Ahuja
  • Olle Eriksson
  • Torben R. Jensen
  • Martin Sahlberg
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Physical Sciences
  • Natural Sciences


  • Laves phase, Metal hydride, Hydrogen storage, In-situ diffraction, Ab, initio
Original languageEnglish
Pages (from-to)9772-9778
JournalInternational Journal of Hydrogen Energy
Issue number23
Publication statusPublished - 2013
Publication categoryResearch