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Pristine-state structure of lithium-ion-battery cathode material Li1.2Mn0.4Co0.4O2 derived from NMR bond pathway analysis.

Authors :
Iddir, Hakim
Key, Baris
Dogan, Fulya
Russell, John T.
Long, Brandon R.
Bareño, Javier
Croy, Jason R.
Benedek, Roy
Source :
Journal of Materials Chemistry A; 6/7/2015, Vol. 3 Issue 21, p11471-11477, 7p
Publication Year :
2015

Abstract

Layered lithium ion battery cathode materials have been extensively investigated, of which layered–layered composites xLi<subscript>2</subscript>MnO<subscript>3</subscript>·(1 −x)LiMO<subscript>2</subscript> (M = Mn, Co, Ni) are of particular interest, owing to their high energy density. Before the structural transformations that occur in these materials with cycling can be understood, the structure of the pristine material must be established. In this work, NMR spectra are measured for the model layered–layered system xLi<subscript>2</subscript>MnO<subscript>3</subscript>·(1 −x)LiCoO<subscript>2</subscript> and Bond-Pathway-model analysis is applied to elucidate the atomic arrangement and domain structure of this material in its pristine state, before electrochemical cycling. The simplest structural element of an Li<subscript>2</subscript>MnO<subscript>3</subscript> domain consists of a stripe of composition LiMn<subscript>2</subscript> parallel to a crystallographic axis in a metal layer of the composite. A simple model of the composite structure may be constructed by a superposition of such stripes in an LiCoO<subscript>2</subscript> background. We show that such a model can account for most of the features of the observed NMR spectra. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20507488
Volume :
3
Issue :
21
Database :
Complementary Index
Journal :
Journal of Materials Chemistry A
Publication Type :
Academic Journal
Accession number :
102783119
Full Text :
https://doi.org/10.1039/c5ta01510c