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- W2998979314 abstract "The thermodynamic stability and lithiated/delithiated potentials of LiFe $_x$ Mn $_{1-x}$ PO $_4$ were studied with density functional theorical calculations. The results show that the formation free energy of the LiFe $_x$ Mn $_{1-x}$ PO $_4$ solid solution is slightly higher than that of the phase-separated mixture of LiFePO $_4$ and LiMnPO $_4$ , and the two forms may co-exist in the actual LiFe $_x$ Mn $_{1-x}$ PO $_4$ materials. The calculation manifests that the lithiated/delithiated potentials of LiFe $_x$ Mn $_{1-x}$ PO $_4$ solid solutions vary via the Mn/Fe ratio and the spatial arrangements of the transition metal ions, and the result is used to explain the shape of capacity-voltage curves. Experimentally, we have synthesized the LiFe $_x$ Mn $_{1-x}$ PO $_4$ materials by solid-phase reaction method. The existence of the LiFe $_x$ Mn $_{1-x}$ PO $_4$ solid solution is thought to be responsible for the appearance of additional capacity-voltage plateau observed in the experiment." @default.
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- W2998979314 date "2019-12-01" @default.
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- W2998979314 title "Density functional theory and electrochemistry studies on LiFe<sub><i>x</i></sub>Mn<sub>1−<i>x</i></sub>PO<sub>4</sub> solid solutions" @default.
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- W2998979314 doi "https://doi.org/10.1063/1674-0068/cjcp1904071" @default.
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