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The Li intercalation potential of LiMPO4 and LiMSiO4 olivines with M=Fe, Mn, Co, Ni
Open accessAbstract
Abstract The Li intercalation potential of LiMPO 4 and LiMSiO 4 compounds with M = Fe, Mn, Co and Ni is computed with the GGA + U method. It is found that this approach is considerably more accurate than standard LDA or GGA methods. The calculated potentials for LiFePO 4 , LiMnPO 4 and LiCoPO 4 agree to within 0.1 V with experimental results. The LiNiPO 4 potential is predicted to be above 5 V. The potentials of the silicate materials are all found to be rather high, but LiFeSiO 4 and LiCoSiO 4 have negligible volume change upon Li extraction.
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Metadata
- Authors
- Zhou, F., Cococcioni, M., Kang, K., & Ceder, G.
- Venue
- Electrochemistry Communications
- Publisher
- Elsevier BV
- Published
- 2004-11
- Volume
- 6
- Issue
- 11
- Pages
- 1144-1148
- ISSN
- 1388-2481 (ISSN-L)
- OpenAlex
- W2005140594
- Cited by
- 433
- References
- 1
- FWCI
- 7.19
- Type
- journal article
- Language
- en
- Open access
- green
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- Zhou, F., Cococcioni, M., Kang, K., & Ceder, G. (2004). The Li intercalation potential of LiMPO4 and LiMSiO4 olivines with M=Fe, Mn, Co, Ni. Electrochemistry Communications. https://doi.org/10.1016/j.elecom.2004.09.007
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