Fig. 2: DFT calculation and XPS analysis of the SAM and MoO3 interaction. | Nature Communications

Fig. 2: DFT calculation and XPS analysis of the SAM and MoO3 interaction.

From: Balancing carrier transport in interconnection layer for efficient perovskite/organic tandem solar cells

Fig. 2

a–c DFT models of the MoO3/SAM heterojunction interface for SAM with (− PO(OH)2), (− PO(O2H)−) and (− PO(O2)−2) groups, respectively, under conditions of pristine surface and surface with oxygen vacancies. d Summarized surface binding energies for the DFT models. e–g XPS signals of P 2p, Mo 3d, and O 1s spectra for different samples. h Possible schematic of the chemical interaction between SAM and MoO3.

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