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Title: Diffraction Analysis of the Lithium Battery Cathode Material Li(1.2)Mn(0.4)Ni(0.3)Co(0.1)O(2)

Abstract

In common with many functional materials, the composition of lithium battery cathode materials has become increasingly complex. Li{sub 1.2}Mn{sub 0.4}Ni{sub 0.3}Co{sub 0.1}O{sub 2} is a highly promising cathode material, that can have up to four cations sharing a single site. Determining the occupancies of each individual element requires more information than even a joint X-ray/neutron refinement can provide. For this material additional datasets were taken to exploit changes in elemental contrast that can be induced using resonant diffraction. Together with the actual ratios of Mn:Ni:Co determined using wavelength dispersive XRF, constraints were constructed to allow the transition metals to float across the different cation sites whilst the lithium content could be freely refined. The added complications of a C2/m monoclinic structure and anisotropic broadening made for a very complex refinement. The least squares matrices were examined in order to maintain reasonable ESDs for the variables of interest.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
980148
Report Number(s):
BNL-93066-2010-JA
TRN: US201015%%1533
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Resource Relation:
Journal Name: Zeitschrift fuer Kristallographie; Journal Volume: 26
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; CATHODES; CATIONS; DIFFRACTION; ELEMENTS; FUNCTIONALS; LITHIUM; MATERIALS; MATRICES; TRANSITION ELEMENTS; WAVELENGTHS; national synchrotron light source

Citation Formats

Whitfield, P., Davidson, I, Stephens, P, Cranswick, L, and Swainson, I. Diffraction Analysis of the Lithium Battery Cathode Material Li(1.2)Mn(0.4)Ni(0.3)Co(0.1)O(2). United States: N. p., 2007. Web. doi:10.1524/zksu.2007.2007.suppl_26.483.
Whitfield, P., Davidson, I, Stephens, P, Cranswick, L, & Swainson, I. Diffraction Analysis of the Lithium Battery Cathode Material Li(1.2)Mn(0.4)Ni(0.3)Co(0.1)O(2). United States. doi:10.1524/zksu.2007.2007.suppl_26.483.
Whitfield, P., Davidson, I, Stephens, P, Cranswick, L, and Swainson, I. Mon . "Diffraction Analysis of the Lithium Battery Cathode Material Li(1.2)Mn(0.4)Ni(0.3)Co(0.1)O(2)". United States. doi:10.1524/zksu.2007.2007.suppl_26.483.
@article{osti_980148,
title = {Diffraction Analysis of the Lithium Battery Cathode Material Li(1.2)Mn(0.4)Ni(0.3)Co(0.1)O(2)},
author = {Whitfield, P. and Davidson, I and Stephens, P and Cranswick, L and Swainson, I},
abstractNote = {In common with many functional materials, the composition of lithium battery cathode materials has become increasingly complex. Li{sub 1.2}Mn{sub 0.4}Ni{sub 0.3}Co{sub 0.1}O{sub 2} is a highly promising cathode material, that can have up to four cations sharing a single site. Determining the occupancies of each individual element requires more information than even a joint X-ray/neutron refinement can provide. For this material additional datasets were taken to exploit changes in elemental contrast that can be induced using resonant diffraction. Together with the actual ratios of Mn:Ni:Co determined using wavelength dispersive XRF, constraints were constructed to allow the transition metals to float across the different cation sites whilst the lithium content could be freely refined. The added complications of a C2/m monoclinic structure and anisotropic broadening made for a very complex refinement. The least squares matrices were examined in order to maintain reasonable ESDs for the variables of interest.},
doi = {10.1524/zksu.2007.2007.suppl_26.483},
journal = {Zeitschrift fuer Kristallographie},
number = ,
volume = 26,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}