Effects of single- and co-substitution of Ti on dehydrogenation of Mg 2 NiH 4 : A first-principles study

Title
Effects of single- and co-substitution of Ti on dehydrogenation of Mg 2 NiH 4 : A first-principles study
Authors
Keywords
First-principle calculations, Substitution doping, Dehydrogenation energy, Reaction enthalpy, Electronic structure
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 103, Issue -, Pages 45-51
Publisher
Elsevier BV
Online
2015-03-28
DOI
10.1016/j.commatsci.2015.03.009

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