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Ferromagnetism in the potential cathode material LiNaFePO4F
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
2009 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 87, no 1Article in journal (Refereed) Published
Abstract [en]

We present the ab initio study of the cathode material LiNaFePO4F, which is suitable for rechargeable batteries. Our calculations reveal the ferromagnetic order to be the ground state of this material. We also predict more than 5.0V intercalation voltage of this material for sodium-ion batteries. The low cost of sodium iron. fluorophasphate batteries and more than 5.0V intercalation voltage makes it the more suitable candidate, commercially and scientifically, than any other cathode materials for rechargeable batteries.

Place, publisher, year, edition, pages
2009. Vol. 87, no 1
Keyword [en]
generalized gradient approximation, augmented-wave method, sodium, insertion, electron-gas, batteries, lithium, ion, energy
URN: urn:nbn:se:kth:diva-18714DOI: 10.1209/0295-5075/87/18001ISI: 000269357900031ScopusID: 2-s2.0-77957744278OAI: diva2:336761
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-01-14Bibliographically approved

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Ahuja, Rajeev
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