Dual lithium insertion and conversion mechanisms in a titanium-based mixed-anion nanocomposite

Damien Dambournet; Karena W. Chapman; Peter J. Chupas; Rex E. Gerald; Nicolas Penin; Christine Labrugere; Alain Demourgues; Alain Tressaud; Khalil Amine

doi:10.1021/ja204284h

Dual lithium insertion and conversion mechanisms in a titanium-based mixed-anion nanocomposite

Damien Dambournet
, Karena W. Chapman
, Peter J. Chupas
, Rex E. Gerald
, Nicolas Penin
, Christine Labrugere
, Alain Demourgues
, Alain Tressaud
, Khalil Amine

Chemistry

United States Department of Energy
Université de Bordeaux

Research output: Contribution to journal › Article › peer-review

36 Scopus citations

Abstract

The electrochemical reaction of lithium with a vacancy-containing titanium hydroxyfluoride was studied. On the basis of pair distribution function analysis, NMR, and X-ray photoelectron spectroscopy, we propose that the material undergoes partitioning upon initial discharge to form a nanostructured composite containing crystalline Li_xTiO₂, surrounded by a Ti⁰ and LiF layer. The Ti⁰ is reoxidized upon reversible charging to an amorphous TiF₃ phase via a conversion reaction. The crystalline Li_xTiO₂ is involved in an insertion reaction. The resulting composite electrode, Ti⁰-LiF/Li_xTiO ₂ → TiF₃/ Li_yTiO₂, allows reaction of more than one Li per Ti, providing a route to higher capacities while improving the energy efficiency compared to pure conversion chemistries.

Original language	English
Pages (from-to)	13240-13243
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	133
Issue number	34
DOIs	https://doi.org/10.1021/ja204284h
State	Published - Aug 31 2011

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title = "Dual lithium insertion and conversion mechanisms in a titanium-based mixed-anion nanocomposite",

abstract = "The electrochemical reaction of lithium with a vacancy-containing titanium hydroxyfluoride was studied. On the basis of pair distribution function analysis, NMR, and X-ray photoelectron spectroscopy, we propose that the material undergoes partitioning upon initial discharge to form a nanostructured composite containing crystalline LixTiO2, surrounded by a Ti0 and LiF layer. The Ti0 is reoxidized upon reversible charging to an amorphous TiF3 phase via a conversion reaction. The crystalline LixTiO2 is involved in an insertion reaction. The resulting composite electrode, Ti0-LiF/LixTiO 2 → TiF3/ LiyTiO2, allows reaction of more than one Li per Ti, providing a route to higher capacities while improving the energy efficiency compared to pure conversion chemistries.",

author = "Damien Dambournet and Chapman, \{Karena W.\} and Chupas, \{Peter J.\} and Gerald, \{Rex E.\} and Nicolas Penin and Christine Labrugere and Alain Demourgues and Alain Tressaud and Khalil Amine",

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doi = "10.1021/ja204284h",

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T1 - Dual lithium insertion and conversion mechanisms in a titanium-based mixed-anion nanocomposite

AU - Dambournet, Damien

AU - Chapman, Karena W.

AU - Chupas, Peter J.

AU - Gerald, Rex E.

AU - Penin, Nicolas

AU - Labrugere, Christine

AU - Demourgues, Alain

AU - Tressaud, Alain

AU - Amine, Khalil

PY - 2011/8/31

Y1 - 2011/8/31

N2 - The electrochemical reaction of lithium with a vacancy-containing titanium hydroxyfluoride was studied. On the basis of pair distribution function analysis, NMR, and X-ray photoelectron spectroscopy, we propose that the material undergoes partitioning upon initial discharge to form a nanostructured composite containing crystalline LixTiO2, surrounded by a Ti0 and LiF layer. The Ti0 is reoxidized upon reversible charging to an amorphous TiF3 phase via a conversion reaction. The crystalline LixTiO2 is involved in an insertion reaction. The resulting composite electrode, Ti0-LiF/LixTiO 2 → TiF3/ LiyTiO2, allows reaction of more than one Li per Ti, providing a route to higher capacities while improving the energy efficiency compared to pure conversion chemistries.

AB - The electrochemical reaction of lithium with a vacancy-containing titanium hydroxyfluoride was studied. On the basis of pair distribution function analysis, NMR, and X-ray photoelectron spectroscopy, we propose that the material undergoes partitioning upon initial discharge to form a nanostructured composite containing crystalline LixTiO2, surrounded by a Ti0 and LiF layer. The Ti0 is reoxidized upon reversible charging to an amorphous TiF3 phase via a conversion reaction. The crystalline LixTiO2 is involved in an insertion reaction. The resulting composite electrode, Ti0-LiF/LixTiO 2 → TiF3/ LiyTiO2, allows reaction of more than one Li per Ti, providing a route to higher capacities while improving the energy efficiency compared to pure conversion chemistries.

UR - https://www.scopus.com/pages/publications/80052099459

U2 - 10.1021/ja204284h

DO - 10.1021/ja204284h

M3 - Article

AN - SCOPUS:80052099459

SN - 0002-7863

VL - 133

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EP - 13243

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 34

ER -

Dual lithium insertion and conversion mechanisms in a titanium-based mixed-anion nanocomposite

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