A DFT study of hydrogen storage in Zr(Cr 0.5 Ni 0.5 ) 2 Laves phase

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Title
A DFT study of hydrogen storage in Zr(Cr 0.5 Ni 0.5 ) 2 Laves phase
Authors
Keywords
C14 Laves phase, Hydrogen absorption, Ab initio, Bonding, Metal–hydrogen bond
Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 41, Issue 4, Pages 2700-2710
Publisher
Elsevier BV
Online
2015-11-29
DOI
10.1016/j.ijhydene.2015.10.077

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