Title of article
Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation
Author/Authors
Song، نويسنده , , Y and Guo، نويسنده , , Z.X. and Yang، نويسنده , , R، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
7
From page
73
To page
79
Abstract
First principles calculations of MgH2 and MgH2–Ti were presented to investigate the influence of titanium on the properties of hydrogen sorption of magnesium hydrides. The heat of formation of MgH2–Ti was enhanced compared with that of MgH2. The bonding between magnesium and hydrogen was weakened, while a stronger interaction between titanium and hydrogen exists if titanium is in solution of the magnesium hydride.
Keywords
first principles , Magnesium hydride , Hydrogen storage
Journal title
MATERIALS SCIENCE & ENGINEERING: A
Serial Year
2004
Journal title
MATERIALS SCIENCE & ENGINEERING: A
Record number
2143248
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