Phase transition in the spinel Li4Ti5O12 induced by lithium insertion Influence of the substitutions Ti/V, Ti/Mn, Ti/Fe

The spinel Li4Ti5O12, a stable phase of the Li2O-TiO2 system, allows to insert three Li atoms per formula unit at a potential of 1.5 V on the basis of a spinel DB NaCl phase transition. This mechanism leads to a reduction of three Ti(IV) atoms out of five, corresponding to a theoretical capacity of...

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Published in:Journal of power sources 2003-06, Vol.119-121, p.626-630
Main Authors: Kubiak, P, Garcia, A, Womes, M, Aldon, L, Olivier-Fourcade, J, Lippens, P-E, Jumas, J-C
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container_title Journal of power sources
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Garcia, A
Womes, M
Aldon, L
Olivier-Fourcade, J
Lippens, P-E
Jumas, J-C
description The spinel Li4Ti5O12, a stable phase of the Li2O-TiO2 system, allows to insert three Li atoms per formula unit at a potential of 1.5 V on the basis of a spinel DB NaCl phase transition. This mechanism leads to a reduction of three Ti(IV) atoms out of five, corresponding to a theoretical capacity of 175 mAh/g. The influence of structural defaults on the spinel RT NaCl phase transition and its reversibility during charge/discharge cycles have been studied. Solid solutions formed from chemical insertion of lithium or substitutions Ti/V, Ti/Mn, Ti/Fe modify the cation distribution on the crystallographic sites (tetrahedral 8a, octahedral 16d, space group Fd3m) and influence the electrochemical performances. A structural analysis by X-ray and neutron diffraction, X-ray absorption, 57Fe Mossbauer spectroscopy and first principle calculations have allowed to establish a relationship between the structure and the electrochemical properties.
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title Phase transition in the spinel Li4Ti5O12 induced by lithium insertion Influence of the substitutions Ti/V, Ti/Mn, Ti/Fe
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