Fig. 1: Design concept of SAC-based heterojunction. | Nature Communications

Fig. 1: Design concept of SAC-based heterojunction.

From: Harnessing strong aromatic conjugation in low-dimensional perovskite heterojunctions for high-performance photovoltaic devices

Fig. 1

a Schematic structural diagram of PSCs with LD perovskite layer and the band offsets between Pb–I frameworks and A-site organic cations in LD perovskites including MVPb2I6 (right) and MBAPbI3 (left). The blue dashed lines are the relocated conduction band and valance band edge. The shaded sections in right panel denote the band offset due to the replacement of MBA by MV cations. CBM and VBM represent conduction band minimum and valence band maximum respectively. b Optimized schematic crystal structures of 1D MVPb2I6 and MBAPbI3 perovskites. c pDOS diagram of the MVPb2I6 perovskite with emphasizing the CBM, VBM and MV2+ electronic contributions, d pDOS diagram of the MBAPbI3 perovskite with emphasizing the CBM, VBM and MBA+ electronic contributions. The charge density (yellow and cyan) highlights the contributions of the pDOSs in (c, d) chart. e Energy level diagram of the ETL/perovskite interface, including 3D perovskite, 1D MVPb2I6 and MBAPbI3, as well as C60. Source data are provided as a Source Data file.

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