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Issue 48, 2012
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Insight into the channel ion distribution and influence on the lithium insertion properties of hexatitanates A2Ti6O13 (A = Na, Li, H) as candidates for anode materials in lithium-ion batteries

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Abstract

Li2Ti6O13 and H2Ti6O13 were easily synthesized from Na2Ti6O13 by successive Na+–Li+–H+ ion exchange. The crystal structures of Na2Ti6O13, Li2Ti6O13 and H2Ti6O13 were investigated using neutron powder diffraction. Monovalent A+ cations (Na, Li and H) have been located using difference Fourier analysis. Although monoclinic lattice parameters (space group C2/m) of the three titanates remain almost unchanged with retention of the basic [Ti6O132−] network, monovalent Na, Li and H cations occupy different sites in the tunnel space. By comparing the structural details concerning the A+ oxygen coordination, i.e. NaO8 square prismatic coordination, LiO4 square planar coordination and covalently bond H atoms, with results from 23Na, 7Li and 1H NMR spectroscopy we were able to obtain a more detailed insight into the respective local distortions and anharmonic motions. We were able to show that the site that the A+ cation occupies in the hexatitanate channel structure strongly influences the lithium insertion properties of these compounds and therefore their usefulness as electrode materials for energy storage.

Graphical abstract: Insight into the channel ion distribution and influence on the lithium insertion properties of hexatitanates A2Ti6O13 (A = Na, Li, H) as candidates for anode materials in lithium-ion batteries

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Publication details

The article was received on 24 Jul 2012, accepted on 11 Oct 2012 and first published on 15 Oct 2012


Article type: Paper
DOI: 10.1039/C2DT31665J
Citation: Dalton Trans., 2012,41, 14633-14642
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    Insight into the channel ion distribution and influence on the lithium insertion properties of hexatitanates A2Ti6O13 (A = Na, Li, H) as candidates for anode materials in lithium-ion batteries

    J. C. Pérez-Flores, F. García-Alvarado, M. Hoelzel, I. Sobrados, J. Sanz and A. Kuhn, Dalton Trans., 2012, 41, 14633
    DOI: 10.1039/C2DT31665J

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