Diketopyrrolopyrrole-based conjugated polymers containing alkyl and aryl side-chains for bulk heterojunction solar cells

Charge Mobility Enhancement for Conjugated DPP-Selenophene Polymer by Simply Replacing One Bulky Branching Alkyl Chain with Linear One at Each DPP Unit

“…38−43 However, these side chains entail functional group such as oligo(ethylene glycol) chains, 38−40 siloxane terminated chains, 40 perylene bisimide terminated chains, 41 and aryl group terminated chains. 42,43 Most of these DPPcontaining conjugated polymers have been employed for organic photovoltaic cells. 41,42 ■ RESULTS AND DISCUSSION Design Rationale Based on Theoretical Calculations.…”

“…42,43 Most of these DPPcontaining conjugated polymers have been employed for organic photovoltaic cells. 41,42 ■ RESULTS AND DISCUSSION Design Rationale Based on Theoretical Calculations. In order to support our design rationale and reveal the influence of side alkyl chains on the structures of the backbones of conjugated D-A polymers, we carried out molecular dynamics simulations (see the Supporting Information for simulation details).…”

“…It is also noted that both PDPPSe-10 and PDPPSe-12 exhibit ambipolar semiconducting behavior under a N 2 atmosphere, and both hole and electron mobilities are remarkably increased to 6.5/0.48 cm 2 V –1 s –1 and 7.9/0.79 cm 2 V –1 s –1 , in comparison with those of PDPPSe (1.18/0.19 cm 2 V –1 s –1 ). It is noted that DPP units with two different side chains have been reported and introduced into small molecules and polymers. − However, these side chains entail functional group such as oligo­(ethylene glycol) chains, − siloxane terminated chains, perylene bisimide terminated chains, and aryl group terminated chains. , Most of these DPP-containing conjugated polymers have been employed for organic photovoltaic cells. , …”