Hostname: page-component-7dd5485656-g8tfn Total loading time: 0 Render date: 2025-10-31T06:12:35.876Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access Rights & Permissions [Opens in a new window]

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

Information

Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue S1 , December 2014 , pp. S59 - S63
Check for updates
Copyright
Copyright © International Centre for Diffraction Data 2014 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

Brown, I. D. and Altermatt, D. (1985). “Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database,” Acta Crystallogr. B 41, 244–247.CrossRefGoogle Scholar
Cho, J., Kim, Y. J., Kim, T.-J., and Park, B. (2001). “Zero-strain intercalation cathode for rechargeable Li-ion cell,” Angew. Chem. Int. Ed. 113, 3471–3473.Google Scholar
Hunter, B. (1998) “Rietica - a visual Rietveld program”. International Union of Crystallography Commission on Powder Diffraction Newsletter No. 20, (Summer) http://www.rietica.orgGoogle Scholar
Liss, K.-D., Hunter, B., Hagen, M., Noakes, T., and Kennedy, S. (2006). “Echidna—the new high-resolution powder diffractometer being built at OPAL,” Physica B 385–386, Part 2, 1010–1012.Google Scholar
Ohzuku, T., Ueda, A., and Yamamoto, N. (1995). “Zero-strain insertion material of Li[Li1/3Ti5/3]O4 for rechargeable lithium cells,” J. Electrochem. Soc. 142, 1431–1435.CrossRefGoogle Scholar
Pang, W. K., Peterson, V. K., Sharma, N., Shiu, J.-J., and Wu, S.-h. (2014a). “Lithium migration in Li4Ti5O12 studied using in situ neutron powder diffraction,” Chem. Mater. 26, 2318–2326.CrossRefGoogle Scholar
Pang, W. K., Sharma, N., Peterson, V. K., Shiu, J.-J., and Wu, S.-H. (2014b). “In-situ neutron diffraction study of the simultaneous structural evolution of a LiNi0.5Mn1.5O4 cathode and a Li4Ti5O12 anode in a LiNi0.5Mn1.5O4||Li4Ti5O12 full cell,” J. Power Sources 246, 464–472.CrossRefGoogle Scholar
Rodríguez-Carvajal, J. (1993). “Recent advances in magnetic structure determination by neutron powder diffraction,” Physica B 192, 55–69.Google Scholar
Ronci, F., Reale, P., Scrosati, B., Panero, S., Rossi Albertini, V., Perfetti, P., di Michiel, M., and Merino, J. M. (2002). “High-resolution in-situ structural measurements of the Li4/3Ti5/3O4 “zero-strain” insertion material,” J. Phys. Chem. B 106, 3082–3086.CrossRefGoogle Scholar
Sharma, N., Yu, D., Zhu, Y., Wu, Y., and Peterson, V. K. (2013). “Non-equilibrium structural evolution of the lithium-rich Li1+yMn2O4 cathode within a battery,” Chem. Mater. 25, 754–760.Google Scholar
Studer, A. J., Hagen, M. E., and Noakes, T. J. (2006). “Wombat: the high-intensity powder diffractometer at the OPAL reactor,” Physica B 385–386, Part 2, 1013–1015.CrossRefGoogle Scholar
Roisnel, T. and Rodriguez-Carvajal, J. (2000). “WinPLOTR: a windows tool for powder diffraction patterns analysis,” in Paper read at Materials Science Forum, Proc. of the Seventh European Powder Diffraction Conf. (EPDIC 7).Google Scholar
Tarascon, J. M. and Armand, M. (2001). “Issues and challenges facing rechargeable lithium batteries,” Nature 414, 359–367.CrossRefGoogle ScholarPubMed
Wagemaker, M., Simon, D. R., Kelder, E. M., Schoonman, J., Ringpfeil, C., Haake, U., Lützenkirchen-Hecht, D., Frahm, R., and Mulder, F. M. (2006). “A kinetic two-phase and equilibrium solid solution in spinel Li4+xTi5O12,” Adv. Mater. 18, 3169–3173.CrossRefGoogle Scholar