Hydrogen storage properties of the pseudo binary laves phase (Sc1-xZrx)(Co1-yNiy)(2) system
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4030670
- author
- Angstrom, Jonas ; Johansson, Robert ; Rude, Line Holdt ; Gundlach, Carsten LU ; Scheicher, Ralph H. ; Ahuja, Rajeev ; Eriksson, Olle ; Jensen, Torben R. and Sahlberg, Martin
- organization
- publishing date
- 2013
- 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
- 2022-03-29 04:55:17
@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}}, keywords = {{Laves phase; Metal hydride; Hydrogen storage; In-situ diffraction; Ab; initio}}, 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}}, }