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Order and disorder in NMC layered materials: a FAULTS simulation analysis

Published online by Cambridge University Press:  06 February 2017

Marine Reynaud  and
Montse Casas-Cabanas
Marine Reynaud
Affiliation:
CIC Energigune, Parque Tecnológico de Álava, Albert Einstein 48, 01510 Miñano, Spain
Montse Casas-Cabanas*
Affiliation:
CIC Energigune, Parque Tecnológico de Álava, Albert Einstein 48, 01510 Miñano, Spain
*
a)Author to whom correspondence should be addressed. Electronic mail: mcasas@cicenergigune.com
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Abstract

The program FAULTS has been used to simulate the X-ray powder diffraction (XRD), neutron powder diffraction (NPD), and electron diffraction (ED) patterns of several structural models for LiNi1/3Mn1/3Co1/3O2, including different types of ordering of the transition metal (TM) cations in the TM slabs, different amounts of Li+/NiII+ cation mixing and different amounts of stacking faults. The results demonstrate the relevance of the structural information provided by NPD and ED data as compared with XRD to characterize the microstructure of NMC (LiNi1−y-zMnyCozO2) compounds.

Keywords

X-ray powder diffractionneutron powder diffractionelectron diffractiondiffuse scatteringstacking faultslayered materialsFAULTSDIFFaXbattery materialslayered oxide
Type
Technical Articles
Information
Powder Diffraction , Volume 32 , Supplement S1 , September 2017 , pp. S213 - S220
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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