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. 2015 Nov 20;5:16977. doi: 10.1038/srep16977

Figure 5. Calculated vacancy defect and band-edge “defects” formation energies as functions of Fermi levels for MAPbI3 at three chemical potential conditions at T = 300 K.

Figure 5

(a) Inline graphic eV,Inline graphic eV, and Inline graphiceV. (b) Inline graphiceV, Inline graphiceV, and Inline graphiceV. (c) Inline graphiceV,Inline graphiceV,Inline graphicandInline graphiceV. The defect calculations are performed using Inline graphic supercells and Inline graphic k-point meshes.