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

Angstrom, Jonas ; Johansson, Robert ; Rude, Line Holdt ; Gundlach, Carsten LU ; Scheicher, Ralph H. ; Ahuja, Rajeev ; Eriksson, Olle ; Jensen, Torben R. and Sahlberg, Martin (2013) In International Journal of Hydrogen Energy 38(23). p.9772-9778
Abstract
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... (More)
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. (Less)
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author
; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Laves phase, Metal hydride, Hydrogen storage, In-situ diffraction, Ab, initio
in
International Journal of Hydrogen Energy
volume
38
issue
23
pages
9772 - 9778
publisher
Elsevier
external identifiers
  • wos:000322500800018
  • scopus:84880139313
ISSN
1879-3487
DOI
10.1016/j.ijhydene.2013.05.053
language
English
LU publication?
yes
id
070b1168-8990-43b9-ac37-3827f33611d5 (old id 4030670)
date added to LUP
2016-04-01 12:59:58
date last changed
2020-01-12 10:41:56
@article{070b1168-8990-43b9-ac37-3827f33611d5,
  abstract     = {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.},
  author       = {Angstrom, Jonas and Johansson, Robert and Rude, Line Holdt and Gundlach, Carsten and Scheicher, Ralph H. and Ahuja, Rajeev and Eriksson, Olle and Jensen, Torben R. and Sahlberg, Martin},
  issn         = {1879-3487},
  language     = {eng},
  number       = {23},
  pages        = {9772--9778},
  publisher    = {Elsevier},
  series       = {International Journal of Hydrogen Energy},
  title        = {Hydrogen storage properties of the pseudo binary laves phase (Sc1-xZrx)(Co1-yNiy)(2) system},
  url          = {http://dx.doi.org/10.1016/j.ijhydene.2013.05.053},
  doi          = {10.1016/j.ijhydene.2013.05.053},
  volume       = {38},
  year         = {2013},
}