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Structure of the Li4Ti5O12 anode during charge-discharge cycling

Published online by Cambridge University Press:  10 November 2014

Wei Kong Pang ,
Vanessa K. Peterson ,
Neeraj Sharma ,
Je-Jang Shiu  and
She-huang Wu
Wei Kong Pang
Affiliation:
Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232, Australia Faculty of Engineering, School of Mechanical, Materials, and Mechatronic Engineering, Institute for Superconducting and Electronic Materials, University of Wollongong, NSW 2522, Australia
Vanessa K. Peterson*
Affiliation:
Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232, Australia
Neeraj Sharma
Affiliation:
School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia
Je-Jang Shiu
Affiliation:
Department of Materials Engineering, Tatung University, No.40, Sec. 3, Zhongshan N. Rd., Taipei City 104, Taiwan
She-huang Wu
Affiliation:
Department of Materials Engineering, Tatung University, No.40, Sec. 3, Zhongshan N. Rd., Taipei City 104, Taiwan
*
a)Author to whom correspondence should be addressed. Electronic mail: vanessa.peterson@ansto.gov.au
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Abstract

The structural evolution of the “zero-strain” Li4Ti5O12 anode within a functioning Li-ion battery during charge–discharge cycling was studied using in situ neutron powder-diffraction, allowing correlation of the anode structure to the measured charge–discharge profile. While the overall lattice response controls the “zero-strain” property, the oxygen atom is the only variable in the atomic structure and responds to the oxidation state of the titanium, resulting in distortion of the TiO6 octahedron and contributing to the anode's stability upon lithiation/delithiation. Interestingly, the trend of the octahedral distortion on charge–discharge does not reflect that of the lattice parameter, with the latter thought to be influenced by the interplay of lithium location and quantity. Here we report the details of the TiO6 octahedral distortion in terms of the O–Ti–O bond angle that ranges from 83.7(3)° to 85.4(5)°.

Keywords

Li-ion batteryLi4Ti5O12neutron diffractionphase evolution
Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue S1 , December 2014 , pp. S59 - S63
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Copyright
Copyright © International Centre for Diffraction Data 2014 

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