Lattice strains in the layered Mn, Ni and Co oxides as cathode materials in Li and Na batteries

Elena Levi; Doron Aurbach

doi:10.1016/j.ssi.2014.06.020

Lattice strains in the layered Mn, Ni and Co oxides as cathode materials in Li and Na batteries

Elena Levi, Doron Aurbach

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

This work proposes for the first time a detailed description of the lattice strains in the layered Mn-Ni-Co oxides and their derivatives based on the available structural data. It relates the strains to material instability upon synthesis and electrochemical functioning. In particular, it was shown that exsolution (separation on two phases) or cation ordering in two-component solid solutions, LiCo_1-yM_yO₂ and LiNi _1-yM_yO₂ (M - different cations), can be predicted in accordance with the introduced tolerance factor. Bond valence model was used for the strain calculations. The results agree with the first principle calculations.

Original language	English
Pages (from-to)	54-68
Number of pages	15
Journal	Solid State Ionics
Volume	264
DOIs	https://doi.org/10.1016/j.ssi.2014.06.020
State	Published - 15 Oct 2014

Bibliographical note

Funding Information:
A partial support for this work was obtained by the Israel Science Foundation (ISF) , in the framework of the INREP project. Appendix A

Keywords

Bond valence
Instability
Lattice strains
Mn-Co-Ni-oxides
Ordering
Solid solution

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10.1016/j.ssi.2014.06.020

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abstract = "This work proposes for the first time a detailed description of the lattice strains in the layered Mn-Ni-Co oxides and their derivatives based on the available structural data. It relates the strains to material instability upon synthesis and electrochemical functioning. In particular, it was shown that exsolution (separation on two phases) or cation ordering in two-component solid solutions, LiCo1-yMyO2 and LiNi 1-yMyO2 (M - different cations), can be predicted in accordance with the introduced tolerance factor. Bond valence model was used for the strain calculations. The results agree with the first principle calculations.",

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T1 - Lattice strains in the layered Mn, Ni and Co oxides as cathode materials in Li and Na batteries

AU - Levi, Elena

AU - Aurbach, Doron

N1 - Funding Information: A partial support for this work was obtained by the Israel Science Foundation (ISF) , in the framework of the INREP project. Appendix A

PY - 2014/10/15

Y1 - 2014/10/15

N2 - This work proposes for the first time a detailed description of the lattice strains in the layered Mn-Ni-Co oxides and their derivatives based on the available structural data. It relates the strains to material instability upon synthesis and electrochemical functioning. In particular, it was shown that exsolution (separation on two phases) or cation ordering in two-component solid solutions, LiCo1-yMyO2 and LiNi 1-yMyO2 (M - different cations), can be predicted in accordance with the introduced tolerance factor. Bond valence model was used for the strain calculations. The results agree with the first principle calculations.

AB - This work proposes for the first time a detailed description of the lattice strains in the layered Mn-Ni-Co oxides and their derivatives based on the available structural data. It relates the strains to material instability upon synthesis and electrochemical functioning. In particular, it was shown that exsolution (separation on two phases) or cation ordering in two-component solid solutions, LiCo1-yMyO2 and LiNi 1-yMyO2 (M - different cations), can be predicted in accordance with the introduced tolerance factor. Bond valence model was used for the strain calculations. The results agree with the first principle calculations.

KW - Bond valence

KW - Instability

KW - Lattice strains

KW - Mn-Co-Ni-oxides

KW - Ordering

KW - Solid solution

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JO - Solid State Ionics

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Lattice strains in the layered Mn, Ni and Co oxides as cathode materials in Li and Na batteries

Abstract

Bibliographical note

Keywords

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