Issue 38, 2012

A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries

Abstract

The electrochemical properties of Na3V2(PO4)2F3 in a Na rechargeable battery were investigated through a combined computational and experimental study. Ex situ XRD results indicate that the reversible sodiation/desodiation occurs via one phase reaction and the structure of Na3−xV2(PO4)2F3 remains quite stable upon extraction and insertion of sodium. Notable is that the one phase reaction is accompanied by the negligible variation in lattice parameters (∼1%) and unit cell volume (∼2%) which results in a good cycle performance. It is further noticed that the desodiated phase is thermally stable up to 550 °C implying the excellent safety characteristic of the charged electrode. The first principles calculations elucidate the mechanisms of the structural evolution and the electrochemical behavior of Na3−xV2(PO4)2F3 upon battery cycling.

Graphical abstract: A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries

Supplementary files

Additions and corrections

Article information

Article type
Paper
Submitted
15 Jun 2012
Accepted
09 Aug 2012
First published
09 Aug 2012

J. Mater. Chem., 2012,22, 20535-20541

A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries

R. A. Shakoor, D. Seo, H. Kim, Y. Park, J. Kim, S. Kim, H. Gwon, S. Lee and K. Kang, J. Mater. Chem., 2012, 22, 20535 DOI: 10.1039/C2JM33862A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements