Atomic structure and lattice dynamics of Ni and Mg hydroxides

被引：82

作者：

Kazimirov, V. Yu. ^{[1
]}

Smirnov, M. B. ^{[2
]}

Bourgeois, L. ^{[3
]}

Guerlou-Demourgues, L. ^{[4
,5
]}

Servant, L. ^{[3
]}

Balagurov, A. M. ^{[1
]}

Natkaniec, I. ^{[1
]}

Khasanova, N. R. ^{[6
]}

Antipov, E. V. ^{[6
]}

机构：

[1] Joint Inst Nucl Res, Dubna 141980, Russia

[2] St Petersburg State Univ, Dept Phys, St Petersburg 194508, Russia

[3] CNRS, Inst Mol Sci, UMR 5255, F-33405 Talence, France

[4] CNRS, ICMCB, F-33608 Pessac, France

[5] Univ Bordeaux, ICMCB, ENSCPB, F-33608 Pessac, France

[6] Moscow MV Lomonosov State Univ, Moscow 119991, Russia

来源：

SOLID STATE IONICS | 2010年 / 181卷 / 39-40期

关键词：

Nickel hydroxides; Current batteries; Atomic structure; Lattice dynamics; INELASTIC NEUTRON-SCATTERING; NICKEL-HYDROXIDE; AB-INITIO; X-RAY; DIFFRACTION; BRUCITE; STABILITY; MG(OH)(2); M(OH)(2); BEHAVIOR;

D O I：

10.1016/j.ssi.2010.10.002

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Lattice dynamics of nickel hydroxide, beta-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 beta-NiOOH phase. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：1764 / 1770

页数：7

共 40 条

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[Anonymous], COMMUNICATION

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