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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.
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Armand, M., & Tarascon, J.-M. (2008) · Nature · doi:10.1038/451652a · Cited by 19,612
Cited by
Update on Na-based battery materials. A growing research path
Palomares, V., Casas-Cabanas, M., Castillo-Martínez, E., Han, M. H., & Rojo, T. (2013) · Energy & Environmental Science · doi:10.1039/c3ee41031e · Cited by 992
Sodium‐Ion Battery Materials and Electrochemical Properties Reviewed
Chayambuka, K., Mulder, G., Danilov, D. L., & Notten, P. H. L. (2018) · Advanced Energy Materials · doi:10.1002/aenm.201800079 · Cited by 733
A zero-strain layered metal oxide as the negative electrode for long-life sodium-ion batteries
Wang, Y., Yu, X., Xu, S., Bai, J., Xiao, R., Hu, Y.-S., Li, H., Yang, X.-Q., Chen, L., & Huang, X. (2013) · Nature Communications · doi:10.1038/ncomms3365 · Cited by 616
Vanadium‐Based Nanomaterials: A Promising Family for Emerging Metal‐Ion Batteries
Xu, X., Xiong, F., Meng, J., Wang, X., Niu, C., An, Q., & Mai, L. (2020) · Advanced Functional Materials · doi:10.1002/adfm.201904398 · Cited by 482
Park, Y., Seo, D., Kim, H., Kim, J., Lee, S., Kim, B., & Kang, K. (2014) · Advanced Functional Materials · doi:10.1002/adfm.201400561 · Cited by 351
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Metadata
- Authors
- Shakoor, R. A., Seo, D.-H., Kim, H., Park, Y.-U., Kim, J., Kim, S.-W., Gwon, H., Lee, S., & Kang, K.
- Venue
- Journal of Materials Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2012
- Volume
- 22
- Issue
- 38
- Pages
- 20535
- ISSN
- 0959-9428 (ISSN-L)
- 1364-5501
- OpenAlex
- W1999871470
- Cited by
- 365
- References
- 1
- FWCI
- 12.21
- Type
- journal article
- Language
- en
- Open access
- closed
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- Shakoor, R. A., Seo, D.-H., Kim, H., Park, Y.-U., Kim, J., Kim, S.-W., Gwon, H., Lee, S., & Kang, K. (2012). A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries. Journal of Materials Chemistry. https://doi.org/10.1039/c2jm33862a
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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