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Structural evolution of electrodes in the NCR and CGR cathode-containing commercial lithium-ion batteries cycled between 3.0 and 4.5 V: An operando neutron powder-diffraction study

Published online by Cambridge University Press:  28 October 2014

Wei Kong Pang ,
Moshiul Alam ,
Vanessa K. Peterson  and
Neeraj Sharma Open the ORCID record for Neeraj Sharma [Opens in a new window]
Wei Kong Pang*
Affiliation:
Australian Nuclear Science and Technology Organisation, Kirrawee DC, New South Wales 2232, Australia; and School of Mechanical, Materials, and Mechatronic Engineering, Institute for Superconducting & Electronic Materials, Faculty of Engineering, University of Wollongong, New South Wales 2522, Australia
Moshiul Alam
Affiliation:
Australian Nuclear Science and Technology Organisation, Kirrawee DC, New South Wales 2232, Australia; and School of Chemistry, UNSW Australia, Sydney, New South Wales 2052, Australia
Vanessa K. Peterson*
Affiliation:
Australian Nuclear Science and Technology Organisation, Kirrawee DC, New South Wales 2232, Australia
Neeraj Sharma
Affiliation:
School of Chemistry, UNSW Australia, Sydney, New South Wales 2052, Australia
*
a)Address all correspondence to these authors. e-mail: pwk1980@yahoo.com
b)e-mail: Vanessa.Peterson@ansto.gov.au
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Abstract

The dissimilar lattice-evolution of the isostructural layered Li(Ni,Co,Al)O2 (NCR) and Li(Ni,Co,Mn)O2 (CGR) cathodes in commercial lithium-ion batteries during overcharging/discharging was examined using operando neutron powder-diffraction. The stacking axis (c parameter) of both cathodes expands on initial lithiation and contracts on further lithiation. Although both the initial increase and later decrease are smaller for the CGR cathode, the overall change between battery charged and discharged states of the c parameter is larger for the CGR (1.29%) than for the NCR cathode (0.33%). We find these differences are correlated to the transition metal to oxygen bond (as measured through the oxygen positional-parameter) which is specific to the different cathode chemistries. Finally, we note the formation of and suggest a model for a LiCx intermediate between graphite and LiC12 in the anode of both batteries.

Keywords

energy storageneutron scatteringcrystallographic structure
Type
Articles
Information
Journal of Materials Research , Volume 30 , Issue 3: Focus Issue: In-situ and Operando Characterization of Materials , 14 February 2015 , pp. 373 - 380
Copyright
Copyright © Materials Research Society 2014 

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