Low-Potential Sodium Insertion in a NASICON-Type Structure through the Ti(III)/Ti(II) Redox Couple.

We report the direct synthesis of powder NaTi(PO) together with its low-potential electrochemical performance and crystal structure elucidation for the reduced and oxidized phases. First-principles calculations at the density functional theory level have been performed to gain further insight into t...

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Detalles Bibliográficos
Publicado en:	Journal of the American Chemical Society Vol. 135; no. 10; pp. 3897 - 3904
Autores principales:	Senguttuvan, P., Rousse, G., Arroyo y de Dompablo, M. E., Vezin, Hervé, Tarascon, J.-M., Palacín, M. R.
Formato:	Artículo
Publicado:	American Chemical Society 3/13/2013
Materias:	Insertion reactions (Chemistry) Sodium Oxidation-reduction reaction Density functional theory Sodium ions
Acceso en línea:	Ver este registro en EBSCOhost

Descripción
Sumario:	We report the direct synthesis of powder NaTi(PO) together with its low-potential electrochemical performance and crystal structure elucidation for the reduced and oxidized phases. First-principles calculations at the density functional theory level have been performed to gain further insight into the electrochemistry of Ti(IV)/Ti(III) and Ti(III)/Ti(II) redox couples in these sodium superionic conductor (NASICON) compounds. Finally, we have validated the concept of full-titanium-based sodium ion cells through the assembly of symmetric cells involving NaTi(PO) as both positive and negative electrode materials operating at an average potential of 1.7 V.