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  • Osorio-Guillen, J. M., et al. (author)
  • A theoretical study of olivine LiMPO4 cathodes
  • 2004
  • In: Solid State Ionics. - : Elsevier BV. - 0167-2738 .- 1872-7689. ; 167:3-4, s. 221-227
  • Journal article (peer-reviewed)abstract
    • We report on a density functional theory (DFT) calculation of the properties of LiMPO4, where M is either Fe, Mn or Co. The mixing between Fe and Mn in these structures is also examined. We have derived three relevant battery properties, namely average voltage, energy density and specific energy, as well as the lattice constants and ionic coordinates for each case examined. Our calculated values for these properties are in good agreement with recent experimental values, when available. Further insight is gained from the electronic density of states of the phases, through which conclusions about the physical properties of the various phases are made.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Johansson, Börje (1)
Ahuja, Rajeev (1)
Osorio-Guillen, J. M ... (1)
Holm, B. (1)
University
Royal Institute of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Engineering and Technology (1)
Year
2004 (1)

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