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. 2017 Aug 23;3(8):e1700971. doi: 10.1126/sciadv.1700971

Fig. 2. Kinetic energy ΔK and voltage as a function of Hubbard parameter U.

Fig. 2

The main figure gives the kinetic energy ΔK for several different values of U (red dots; dashed blue line is drawn to connect the dots), where ΔK is computed by taking the second moment of the difference Compton profile ΔJ. Inset shows the average Li insertion voltage as a function of U (gold dots; dashed blue line is drawn to connect the dots), where the voltage is calculated from the total energies of LFP, FePO4, and body-centered cubic lithium, as discussed in the text. The voltage calculated with U = 4.3 eV is 3.48V, which agrees well with the experimental value of 3.5 V.