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. 2021 Jan 9;11(1):156. doi: 10.3390/nano11010156

Figure 6.

Figure 6

Bader charge analysis for the two sets of MxFe0.45Ti1.55O4 (x = 0, 0.25, 0.5, 0.75 and 1) compositions with Li and Na as M. The values for each atom, namely Fe, Ti and O (panels a, b and c, respectively), were averaged over non-equivalent atomic positions. Reference charge values (dashed lines) were obtained from calculations for reference compounds with different Fe and Ti oxidation states.