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- W4382022772 abstract "A density function theory (DFT) based first-principles study of doping on LiMnPO4 is attempted. The doped LiMnPO4, such as LiMn0.75Fe0.25PO4, LiMn0.75Al0.25PO4 and LiMnPO3S at the level of electron structure is studied. Highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), density of states (DOS) and Fermi level of doped and pristine LiMnPO4 are investigated, showing positive effectiveness for Fe and Al substitution of Mn, as well as S substitution of O, on the electronic structure of LiMnPO4 to improve its properties." @default.
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- W4382022772 date "2012-04-01" @default.
- W4382022772 modified "2023-10-06" @default.
- W4382022772 title "First-Principles Study of Doping in LiMnPO4" @default.
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- W4382022772 doi "https://doi.org/10.1016/s1452-3981(23)13961-7" @default.
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