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. 2016 Nov 25;2(11):e1601113. doi: 10.1126/sciadv.1601113

Fig. 3. Computational analyses on BPP34C10 and MV2+⊂BPP34C10 between graphene electrodes.

Fig. 3

(A and B) Transmission spectra at the equilibrium of BPP34C10 (red) and MV2+⊂BPP34C10 (blue) around the Fermi level of graphene electrodes. (C and D) Diagrams of MPSH HOMO (below) and LUMO (above) of BPP34C10 macrocycle and MV2+⊂BPP34C10 pseudorotaxane connected to two graphene electrodes via amide bonds. (E and F) Schematic representations of charge carriers passing through BPP34C10-SMJ, which is less conductive, and MV2+⊂BPP34C10-SMJ, which is more conductive, according to the computational analyses.