Figure 2. Band structures and DOS of (A) PbI_MAPbI3, (B) VI_MAPbI3, (C) APCA@PbI_MAPbI3, (D) APCA@VI_MAPbI3, (E) APCA2OH@PbI_MAPbI3, (F) APCA2OH@VI_MAPbI3, (G) APCA3OH@PbI_MAPbI3, and (H) APCA3OH@VI_MAPbI3. DOS: Density of states; TDOS: total density of states; MA: methylammonium.