
Figure 1: Perspective views of the structure of LiFePO4 in projection along (a) a-axis, (b) b-axis and (c) c-axis
Product |
Molar concentration of water solution (M) |
Molar ratioof P/Fe inthe product |
|||
FeSO |
HPO |
LiOH |
NHOH |
||
Sample I |
1.0 |
1.0 |
2.0 |
1.1 |
0.960 |
Sample II |
1.0 |
1.0 |
2.0 |
1.3 |
0.959 |
Sample III |
1.0 |
1.0 |
2.0 |
1.5 |
0.956 |
Sample Ⅳ |
1.0 |
1.1 |
2.0 |
1.1 |
0.977 |
Sample Ⅴ |
1.0 |
1.1 |
2.0 |
1.3 |
0.969 |
Sample Ⅵ |
1.0 |
1.1 |
2.0 |
1.5 |
0.960 |
Sample Ⅶ |
1.0 |
1.2 |
2.0 |
1.1 |
0.985 |
Sample Ⅷ |
1.0 |
1.2 |
2.0 |
1.3 |
0.980 |
Sample Ⅸ |
1.0 |
1.2 |
2.0 |
1.5 |
0.979 |
Sample Ⅹ |
1.0 |
1.0 |
2.0 |
2.0 |
0.940 |
Table 1: Molar concentration of FeSO4, H3PO4, NH4OH and LiOH solution
Site |
Atom |
Number |
x |
y |
z |
Occupancy |
Quantity |
Li1 |
+1 |
4 |
0.00000 |
0.00000 |
0.00000 |
0.879 |
0.869 |
Fe1 |
+2 |
4 |
0.28220 |
0.25000 |
0.97160 |
1.011 |
1.000 |
P1 |
+5 |
4 |
0.09540 |
0.25000 |
0.41790 |
0.970 |
0.960 |
O1 |
-2 |
4 |
0.09460 |
0.25000 |
0.74030 |
1.001 |
0.990 |
O2 |
-2 |
4 |
0.45380 |
0.25000 |
0.20560 |
1.007 |
0.996 |
O3 |
-2 |
8 |
0.16150 |
0.05210 |
0.28610 |
0.987 |
1.953 |
R |
11.62 |
Table 2: Refined atomic coordinates and quantities for the atoms of the sample I
Figure 1: Perspective views of the structure of LiFePO4 in projection along (a) a-axis, (b) b-axis and (c) c-axis
Figure 2: Schematic illustration of supercritical hydrothermal reaction procedure for synthesis of nonstoichiometric lithium iron phosphate
Figure 3: Rietveld refinement of X-ray diffraction patterns for sample I corresponding to Li0.87FeP0.96O3.94. Color code: red; collected pattern, green; refined pattern, pink; difference between collected and refined pattern
Figure 4: HR-TEM image and SAED pattern, indexing of diffraction patterns and Fourier-filtered image in 001 zone, (a) LiFePO4 , (b) Li0.87FeP0.96O3.94
Figure 5: FTIR spectra of (a) sample Ⅰ, (b) sample Ⅲ, (c) sample Ⅳ, (d) sampleⅥ and (e) commercial LiFePO4
Figure 6: SEM images of Li0.87FeP0.96O3.94 , (a) the primary powders, (b) the granules
Figure 7: Variation of lithium ion diffusion coefficient vs x for (a) Li0.87-xFeP0.96O3.94 and (b) Li1xFePO4
Figure 8: Nyquist plots of impedance for (a) Li0.87FeP0.96O3.94 and (b) LiFePO4
Figure 9: Discharge curves of Li0.87FeP0.96O3.94//Li micro-battery at various C-rates
Figure 10: Charge and discharge curves of (a) LiFePO4 //Li cell and (b) Li0.87FeP0.96O3.94//Li cell at 0.1 C
Figure 11: Capacity retention rate vs the number of cycles of Li0.87FeP0.96O3.94//Li cell at 1 C
Figure 12: Variation of the specific capacity vs P/Fe molar ratio in Li1-xFeP1-yO4-z
Tables at a glance
Figures at a glance