Figure 7: Band structure and density of states for oxygen incorporation into CH₃NH₃PbI₃.

(a) O₂ in defect-free CH₃NH₃PbI₃ and (b) O₂ at iodide vacancy in CH₃NH₃PbI₃. Key: blue—CH₃NH₃PbI₃, red—O₂. Note the band structure is folded due to the use of a large supercell.