Hydrogen storage properties of the pseudo binary laves phase (Sc1?xZrx)(Co1?yNiy)2 system
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- 作者：Jonas ?ngstr?m ; Robert Johansson ; Line Holdt Rude ; Carsten Gundlach ; Ralph H. Scheicher ; Rajeev Ahuja ; Olle Eriksson ; Torben R. Jensen ; Martin Sahlberg
- 关键词：Laves phase ; Metal hydride ; Hydrogen storage ; In-situ diffraction ; Ab initio
- 刊名：International Journal of Hydrogen Energy
- 出版年：2013
- 出版时间：6 August, 2013
- 年：2013
- 卷：38
- 期：23
- 页码：9772-9778
- 全文大小：1256 K
文摘
The (Sc1?xZrx)(Co1?yNiy)2-Hz 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.