Figure 5.
DFT Calculation
(A and B) Optimized geometry of oligomers BDTBT-C10H21 (A) and BDTBT-3EO (B).
(C and D) DOS of BDTBT-C10H21 (C) and BDTBT-3EO (D) with H+ adsorbed at nitrogen sites (the case of one hydrogen atom).
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