Paper Title:
Alloying Effect on the Electronic Structure of LaNi5-Based Hydrogen Storage Alloys
  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.

  Info
Periodical
Materials Science Forum (Volumes 475-479)
Main Theme
Edited by
Z.Y. Zhong, H. Saka, T.H. Kim, E.A. Holm, Y.F. Han and X.S. Xie
Pages
3123-3126
DOI
10.4028/www.scientific.net/MSF.475-479.3123
Citation
Y. F. Lin, D. Zhao, X. L. Wang, "Alloying Effect on the Electronic Structure of LaNi5-Based Hydrogen Storage Alloys", Materials Science Forum, Vols. 475-479, pp. 3123-3126, 2005
Online since
January 2005
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Price
$32.00
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