First-Principles Point Defect Models for Zr7Ni10 and Zr2Ni7 Phases

First-Principles Point Defect Models for Zr7Ni10 and Zr2Ni7 Phases

Synergetic effects in multi-phased AB2 Laves-phase-based metal hydride (MH) alloys enable the access of high hydrogen storage secondary phases, despite the lower absorption/desorption kinetics found in nickel/metal hydride (Ni/MH) batteries. Alloy design strategies to further tune the electrochemica...

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Bibliographic Details
Main Authors: Diana F. Wong, Kwo-Hsiung Young, Taihei Ouchi, K. Y. Simon Ng
Format: Article
Language:English
Published: MDPI AG 2016-06-01
Series:Batteries
Subjects:
nickel/metal hydride (Ni/MH) battery
Zr-Ni intermetallics
point defects
density functional theory (DFT)
statistical mechanics
modeling
Online Access:http://www.mdpi.com/2313-0105/2/3/23

Internet

http://www.mdpi.com/2313-0105/2/3/23

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