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New Iron-Based Mixed-Polyanion Cathodes for Lithium and Sodium Rechargeable Batteries: Combined First Principles Calculations and Experimental Study
Abstract
New iron-based mixed-polyanion compounds Li(x)Na(4-x)Fe(3)(PO(4))(2)(P(2)O(7)) (x = 0-3) were synthesized, and their crystal structures were determined. The new compounds contained three-dimensional (3D)sodium/lithium paths supported by P(2)O(7) pillars in the crystal. First principles calculations identified the complex 3D paths with their activation barriers and revealed them as fast ionic conductors. The reversible electrode operation was found in both Li and Na cells with capacities of one-electron reaction per Fe atom, 140 and 129 mAh g(-1), respectively. The redox potential of each phase was ∼3.4 V (vs Li) for the Li-ion cell and ∼3.2 V (vs Na) for the Na-ion cell. The properties of high power, small volume change, and high thermal stability were also recognized, presenting this new compound as a potential competitor to other iron-based electrodes such as Li(2)FeP(2)O(7), Li(2)FePO(4)F, and LiFePO(4).
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Citations
Cited by
Room-temperature stationary sodium-ion batteries for large-scale electric energy storage
Pan, H., Hu, Y.-S., & Chen, L. (2013) · Energy & Environmental Science · doi:10.1039/c3ee40847g · Cited by 3,319
Recent Advances and Prospects of Cathode Materials for Sodium‐Ion Batteries
Xiang, X., Zhang, K., & Chen, J. (2015) · Advanced Materials · doi:10.1002/adma.201501527 · Cited by 1,160
Islam, M. S., & Fisher, C. A. J. (2014) · Chem. Soc. Rev. · doi:10.1039/c3cs60199d · Cited by 1,079
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
A 3.8-V earth-abundant sodium battery electrode
Barpanda, P., Oyama, G., Nishimura, S.-I., Chung, S.-C., & Yamada, A. (2014) · Nature Communications · doi:10.1038/ncomms5358 · Cited by 873
Metadata
- Authors
- Kim, H., Park, I., Seo, D.-H., Lee, S., Kim, S.-W., Kwon, W. J., Park, Y.-U., Kim, C. S., Jeon, S., & Kang, K.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-06-14
- Volume
- 134
- Issue
- 25
- Pages
- 10369-10372
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2254539516
- Cited by
- 592
- References
- 0
- FWCI
- 20.75
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: New Iron-Based Mixed-Polyanion Cathodes for Lithium and Sodium Rechargeable Batteries: Combined First Principles Calculations and Experimental Study. https://app.cochat.ai/papers/10.1021/ja3038646
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- Kim, H., Park, I., Seo, D.-H., Lee, S., Kim, S.-W., Kwon, W. J., Park, Y.-U., Kim, C. S., Jeon, S., & Kang, K. (2012). New Iron-Based Mixed-Polyanion Cathodes for Lithium and Sodium Rechargeable Batteries: Combined First Principles Calculations and Experimental Study. Journal of the American Chemical Society. https://doi.org/10.1021/ja3038646
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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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