Magnetic Structure and Properties of the Li-Ion Battery Materials FeSO4F and LiFeSO4F

被引：65

作者：

Melot, B. C. ^{[2
]}

Rousse, G. ^{[1
]}

Chotard, J. -N. ^{[2
]}

Ati, M. ^{[2
]}

Rodriguez-Carvajal, J. ^{[3
]}

Kemei, M. C. ^{[4
,5
]}

Tarascon, J. -M. ^{[2
]}

机构：

[1] Univ Paris 06, CNRS, UMR 7590, IMPMC, F-75252 Paris 05, France

[2] Univ Picardie, CNRS, UMR 6007, Lab Reactiv & Chim Solides, F-80039 Amiens, France

[3] Inst Max Von Laue Paul Langevin, Diffract Grp, F-38042 Grenoble 9, France

[4] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

[5] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA

来源：

CHEMISTRY OF MATERIALS | 2011年 / 23卷 / 11期

基金：

美国国家科学基金会;

关键词：

structure-magnetism; powder neutron diffraction; battery; fluorosulfates; POSITIVE-ELECTRODE MATERIALS; GROUND-STATE; NEUTRON-DIFFRACTION; CRYSTAL;

D O I：

10.1021/cm200465u

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：

Using magnetic susceptibility and low-temperature neutron diffraction experiments we present a thorough characterization of the magnetic properties of LiFeSO4F and FeSO4F. Temperature dependent magnetic susceptibility measurements show a transition to long-range antiferromagnetic order at 100 K in FeSO4F whereas the ordering temperature in LiFeSO4F is 25 K. We attribute the decreased ordering temperature to a structural change which decreases the strength of the magnetic interactions along the length of the chains and to the difference of super-super-exchange interactions between Fe2+ and Fe3+ ions. Powder neutron diffraction experiments were used to determine the magnetic structures of both compounds, which are discussed in terms of exchange interactions and the anisotropy of Fe2+. The iron magnetic moments are antiparallel within the chains, whereas the coupling between the chains is different in the lithiated compound compared to the delithiated one, resulting in different spin arrangements.

引用

页码：2922 / 2930

页数：9

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