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Alloying Effect on the Electronic Structure of LaNi5-Based Hydrogen Storage Alloys
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Alloying Effect on the Electronic Structure of LaNi5-Based Hydrogen Storage Alloys

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Abstract:

Employing the first principles discrete variational method(DVM), we investigated the electronic structure of LaNi5 hydrogen storage alloys containing various alloying elements, M=Mn,Fe,Co. The results showed that s electrons of H mainly interact with s electrons of hydride-non-forming element Ni, though hydride forming element La have stronger affinity to hydrogen atom. And alloying elements strengthened the bond between B-H, so decreased the capacity of doped-system.

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Periodical:

Materials Science Forum (Volumes 475-479)

Pages:

3123-3126

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.475-479.3123

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Online since:

January 2005

Authors:

Yu Fang Lin, Dongliang Zhao, Xin Lin Wang

Keywords:

Alloying Effect, First-Principle, Hydrogen Storage Alloy, LaNi5

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© 2005 Trans Tech Publications Ltd. All Rights Reserved

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