Fig. 4: VOC and derived Gibbs free energies for LiXNiO2. | npj Computational Materials

Fig. 4: VOC and derived Gibbs free energies for LiXNiO2.

From: Simulation of intercalation and phase transitions in nano-porous, polycrystalline agglomerates

Fig. 4

Chemical potential fits to the measured VOC using Eq. (4) shown in (a) which results in the free energy landscape shown in (b). Gray datapoints in (a) correspond to experimental voltage data for LiXNiO2 obtained at C/109 and in (b) to the convex hull from DFT-based cluster expansion37. Gray shaded areas mark the single phase regions observed in LiXNiO2.

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