The thermodynamic stability and lithiated/delithiated potentials of LiFexMn1-xPO4 were studied with density functional theorical calculations. The results show that the formation free energy of the LiFexMn1-xPO4 solid...The thermodynamic stability and lithiated/delithiated potentials of LiFexMn1-xPO4 were studied with density functional theorical calculations. The results show that the formation free energy of the LiFexMn1-xPO4 solid solution is slightly higher than that of the phase-separated mixture of LiFePO4 and LiMnPO4, and the two forms may co-exist in the actual LiFexMn1-xPO4 materials. The calculation manifests that the lithiated/delithiated potentials of LiFexMn1-xPO4 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 LiFexMn1-xPO4 materials by solid-phase reaction method. The existence of the LiFexMn1-xPO4 solid solution is thought to be responsible for the appearance of additional capacity-voltage plateau observed in the experiment.展开更多
The densities and viscosities of ternary systems(Poloxamer 188+ethanol/acetone+water)were meas- ured at 288.15,293.15,298.15,303.15,308.15 K and atmospheric pressure for different mass fractions of Poloxamer 188(0 to ...The densities and viscosities of ternary systems(Poloxamer 188+ethanol/acetone+water)were meas- ured at 288.15,293.15,298.15,303.15,308.15 K and atmospheric pressure for different mass fractions of Poloxamer 188(0 to 0.02)in aqueous solution and different solvent volume fractions of ethanol/acetone(0 to 0.3)in Poloxamer 188 aqueous solution.The densities were measured by a pycnometer,while the viscosities were measured using two Ubbelohde capillary viscometers.The correlations of density and viscosity of these ternary systems are obtained by fitting the experimental data at different temperatures,mass fractions and volume fractions.展开更多
基金supported by the Science and Technology Foundation of Jiangsu Province(BK20151237)the Special Nano-technology of Suzhou(ZXG2013004)+2 种基金USTC-NSRL Association Fundingthe Collaborative Innovation Centre of Suzhou Nano Science and Technologythe Supercomputation Center of USTC
文摘The thermodynamic stability and lithiated/delithiated potentials of LiFexMn1-xPO4 were studied with density functional theorical calculations. The results show that the formation free energy of the LiFexMn1-xPO4 solid solution is slightly higher than that of the phase-separated mixture of LiFePO4 and LiMnPO4, and the two forms may co-exist in the actual LiFexMn1-xPO4 materials. The calculation manifests that the lithiated/delithiated potentials of LiFexMn1-xPO4 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 LiFexMn1-xPO4 materials by solid-phase reaction method. The existence of the LiFexMn1-xPO4 solid solution is thought to be responsible for the appearance of additional capacity-voltage plateau observed in the experiment.
基金Supported by the National Natural Science Foundation of China(20606031)
文摘The densities and viscosities of ternary systems(Poloxamer 188+ethanol/acetone+water)were meas- ured at 288.15,293.15,298.15,303.15,308.15 K and atmospheric pressure for different mass fractions of Poloxamer 188(0 to 0.02)in aqueous solution and different solvent volume fractions of ethanol/acetone(0 to 0.3)in Poloxamer 188 aqueous solution.The densities were measured by a pycnometer,while the viscosities were measured using two Ubbelohde capillary viscometers.The correlations of density and viscosity of these ternary systems are obtained by fitting the experimental data at different temperatures,mass fractions and volume fractions.
