Fig. 5: Charge density differences and phase transition thermodynamics of the doped FAPbI3. | Nature Communications

Fig. 5: Charge density differences and phase transition thermodynamics of the doped FAPbI3.

From: Toward stabilization of formamidinium lead iodide perovskites by defect control and composition engineering

Fig. 5

a Calculated isosurfaces of the charge density differences for PbI6 and CeI6 octahedra, where electrons are transferred from the yellow to the blue regions. The isosurfaces were taken at 0.01 \(\left|e\right|/{{{\text{\AA }}}}^{3}\). b The phase transition thermodynamics \({\triangle E}_{\delta -\alpha }\) of the B- and X-site doped FAPbI3 as a function of the octahedral factor (\(\mu \)), where the blue points stand for X-site isovalent dopants, green for B-site isovalent dopants, and orange highlights Ln dopants.

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