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

Pierre Kubiak, Aurélie Garcia, Manfred Womes, Laurent Aldon, Josette Olivier-Fourcade, Pierre Emmanuel Lippens, Jean Claude Jumas

Research output: Contribution to journalArticle

138 Citations (Scopus)

Abstract

The spinel Li4Ti5O12, a stable phase of the Li2O-TiO2 system, allows to insert three Li atoms per formula unit at a potential of 1.5V on the basis of a spinel ↔ NaCl phase transition. This mechanism leads to a reduction of three Ti(IV) atoms out of five, corresponding to a theoretical capacity of 175mAh/g. The influence of structural defaults on the spinel → 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 Mössbauer spectroscopy and first principle calculations have allowed to establish a relationship between the structure and the electrochemical properties.

Original languageEnglish
Pages (from-to)626-630
Number of pages5
JournalJournal of Power Sources
Volume119-121
DOIs
Publication statusPublished - 1 Jun 2003
Externally publishedYes

Fingerprint

Lithium
spinel
insertion
Substitution reactions
lithium
Phase transitions
substitutes
Atoms
X ray absorption
Neutron diffraction
Electrochemical properties
Structural analysis
Solid solutions
Positive ions
Spectroscopy
inserts
structural analysis
X ray diffraction
atoms
neutron diffraction

Keywords

  • Fe Mössbauer data
  • Anode
  • Insertion mechanisms
  • Li-ion batteries
  • LiTiO

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Energy Engineering and Power Technology
  • Physical and Theoretical Chemistry
  • Electrical and Electronic Engineering

Cite this

Phase transition in the spinel Li4Ti5O12 induced by lithium insertion - Influence of the substitutions Ti/V, Ti/Mn, Ti/Fe. / Kubiak, Pierre; Garcia, Aurélie; Womes, Manfred; Aldon, Laurent; Olivier-Fourcade, Josette; Lippens, Pierre Emmanuel; Jumas, Jean Claude.

In: Journal of Power Sources, Vol. 119-121, 01.06.2003, p. 626-630.

Research output: Contribution to journalArticle

Kubiak, Pierre ; Garcia, Aurélie ; Womes, Manfred ; Aldon, Laurent ; Olivier-Fourcade, Josette ; Lippens, Pierre Emmanuel ; Jumas, Jean Claude. / Phase transition in the spinel Li4Ti5O12 induced by lithium insertion - Influence of the substitutions Ti/V, Ti/Mn, Ti/Fe. In: Journal of Power Sources. 2003 ; Vol. 119-121. pp. 626-630.
@article{f024c2efa66440609b57010c2908b20e,
title = "Phase transition in the spinel Li4Ti5O12 induced by lithium insertion - Influence of the substitutions Ti/V, Ti/Mn, Ti/Fe",
abstract = "The spinel Li4Ti5O12, a stable phase of the Li2O-TiO2 system, allows to insert three Li atoms per formula unit at a potential of 1.5V on the basis of a spinel ↔ NaCl phase transition. This mechanism leads to a reduction of three Ti(IV) atoms out of five, corresponding to a theoretical capacity of 175mAh/g. The influence of structural defaults on the spinel → 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 M{\"o}ssbauer spectroscopy and first principle calculations have allowed to establish a relationship between the structure and the electrochemical properties.",
keywords = "Fe M{\"o}ssbauer data, Anode, Insertion mechanisms, Li-ion batteries, LiTiO",
author = "Pierre Kubiak and Aur{\'e}lie Garcia and Manfred Womes and Laurent Aldon and Josette Olivier-Fourcade and Lippens, {Pierre Emmanuel} and Jumas, {Jean Claude}",
year = "2003",
month = "6",
day = "1",
doi = "10.1016/S0378-7753(03)00186-1",
language = "English",
volume = "119-121",
pages = "626--630",
journal = "Journal of Power Sources",
issn = "0378-7753",
publisher = "Elsevier",

}

TY - JOUR

T1 - Phase transition in the spinel Li4Ti5O12 induced by lithium insertion - Influence of the substitutions Ti/V, Ti/Mn, Ti/Fe

AU - Kubiak, Pierre

AU - Garcia, Aurélie

AU - Womes, Manfred

AU - Aldon, Laurent

AU - Olivier-Fourcade, Josette

AU - Lippens, Pierre Emmanuel

AU - Jumas, Jean Claude

PY - 2003/6/1

Y1 - 2003/6/1

N2 - The spinel Li4Ti5O12, a stable phase of the Li2O-TiO2 system, allows to insert three Li atoms per formula unit at a potential of 1.5V on the basis of a spinel ↔ NaCl phase transition. This mechanism leads to a reduction of three Ti(IV) atoms out of five, corresponding to a theoretical capacity of 175mAh/g. The influence of structural defaults on the spinel → 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 Mössbauer spectroscopy and first principle calculations have allowed to establish a relationship between the structure and the electrochemical properties.

AB - The spinel Li4Ti5O12, a stable phase of the Li2O-TiO2 system, allows to insert three Li atoms per formula unit at a potential of 1.5V on the basis of a spinel ↔ NaCl phase transition. This mechanism leads to a reduction of three Ti(IV) atoms out of five, corresponding to a theoretical capacity of 175mAh/g. The influence of structural defaults on the spinel → 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 Mössbauer spectroscopy and first principle calculations have allowed to establish a relationship between the structure and the electrochemical properties.

KW - Fe Mössbauer data

KW - Anode

KW - Insertion mechanisms

KW - Li-ion batteries

KW - LiTiO

UR - http://www.scopus.com/inward/record.url?scp=0038685979&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0038685979&partnerID=8YFLogxK

U2 - 10.1016/S0378-7753(03)00186-1

DO - 10.1016/S0378-7753(03)00186-1

M3 - Article

AN - SCOPUS:0038685979

VL - 119-121

SP - 626

EP - 630

JO - Journal of Power Sources

JF - Journal of Power Sources

SN - 0378-7753

ER -