Atomic structure and lattice dynamics of Ni and Mg hydroxides

Lattice dynamics of nickel hydroxide, β-Ni(OH) 2, electrode material for current batteries, has been investigated by incoherent inelastic neutron scattering. Results are discussed through comparison with the isostructural and well studied model compound, Mg(OH) 2. The zone-center phonon spectra calc...

Full description

Saved in:
Bibliographic Details
Published in:Solid state ionics 2010-12, Vol.181 (39), p.1764-1770
Main Authors: Kazimirov, V.Yu, Smirnov, M.B., Bourgeois, L., Guerlou-Demourgues, L., Servant, L., Balagurov, A.M., Natkaniec, I., Khasanova, N.R., Antipov, E.V.
Format: Article
Language:English
Subjects:
Atomic structure
Chemical Sciences
Current batteries
Density functional theory
Dynamic tests
Dynamics
Hydroxides
Lattice dynamics
Lattices
Material chemistry
Mathematical models
Nickel
Nickel hydroxides
Spectra
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Lattice dynamics of nickel hydroxide, β-Ni(OH) 2, electrode material for current batteries, has been investigated by incoherent inelastic neutron scattering. Results are discussed through comparison with the isostructural and well studied model compound, Mg(OH) 2. The zone-center phonon spectra calculated in the frame of the density functional theory showed the important role of the spin–spin interactions in nickel hydroxide. Analysis of the calculated force constant matrix provided some insight into peculiarities of interatomic interactions in these layered compounds. A similar theoretical approach is applied to the investigation of the atomic structure and lattice dynamics of the β-NiOOH phase.
ISSN:0167-2738
1872-7689
DOI:10.1016/j.ssi.2010.10.002