Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 135, Issue 10, Pages 3897-3903Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja311044t
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Funding
- Ministerio de Ciencia e Innovacion (Spain) [MAT2011-24757]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
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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.
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