DAMBOURNET, Damien; CHAPMAN, Karena W.; CHUPAS, Peter J.; GERALD, Rex E.; PENIN, Nicolas; LABRUGERE, Christine; DEMOURGUES, Alain; TRESSAUD, Alain; AMINE, Khalil

doi:10.1021/ja204284h

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DAMBOURNET, Damien
Chemical Sciences and Engineering

CHAPMAN, Karena W.
X-ray Science Division [XSD]

CHUPAS, Peter J.
X-ray Science Division [XSD]

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Journal of the American Chemical Society. 2011, vol. 133, n° 34, p. 13240-13243

American Chemical Society

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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(x)TiO(2), surrounded by a Ti(0) and LiF layer. The Ti(0) is reoxidized upon reversible charging to an amorphous TiF(3) phase via a conversion reaction. The crystalline Li(x)TiO(2) is involved in an insertion reaction. The resulting composite electrode, Ti(0)-LiF/Li(x)TiO(2) ⇔ TiF(3)/ Li(y)TiO(2), 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.< Réduire

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

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