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

We report the direct synthesis of powder Na3Ti2(PO4)3 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 in...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2013-03, Vol.135 (10), p.3897-3903
Main Authors: Senguttuvan, P, Rousse, G, Arroyo y de Dompablo, M. E, Vezin, Hervé, Tarascon, J.-M, Palacín, M. R
Format: Article
Language:English
Subjects:
Chemical Sciences
Electrochemical Techniques
Electrodes
Molecular Structure
or physical chemistry
Oxidation-Reduction
Phosphates - chemistry
Quantum Theory
Sodium - chemistry
Theoretical and
Titanium - chemistry
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Summary:We report the direct synthesis of powder Na3Ti2(PO4)3 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 Na3Ti2(PO4)3 as both positive and negative electrode materials operating at an average potential of 1.7 V.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja311044t