Experimental and Theoretical Investigations of Different Diketopyrrolopyrrole-Based Polymers

Abstract

Diketopyrrolopyrrole (DPP)-based polymers are often considered as the most promising donor moiety in traditional bulk heterojunction solar cell devices. In this paper, we report the synthesis, characterization of various DPP-based copolymers with different molecular weights, and polydispersity where other aromatic repeating units (phenyl or thiophene based) are connected by alternate double bonds or triple bonds. Some of the copolymers were used for device fabrication and the crucial parameters such as fill factor (FF) and open circuit voltage ( V oc ) were calculated. The density functional theory was used to optimize the geometries and deduce highest occupied molecular orbital–lowest unoccupied molecular orbital gaps of all the polymers and theoretically predict their optical and electronic properties. Optical properties of all the polymers, electrochemical properties, and band gaps were also obtained experimentally and compared with the theoretically predicted values.

Immobilized Polythiophene-fullerene on Surfaces: Beyond Photovoltaics

“…33,34 since photocatalysis involves the generation of charges in presence of sunlight but not the transportation of charges only a few localized factors like morphology or concentration ratios can play more important role to improve efficacy compared to photovoltaic devices (ESI table S7). Although research efforts were undertaken to improve the efficacy of the polymeric solar cell devices [35][36][37][38] and/or finding, a correlation with composition, morphology and mobility of electrons/holes 4,14,39 to the best of our knowledge, this is the first attempt to study in detail the efficacy of P3HT-PCBM based reusable photocatalytic device in the form of a chip. The study of donor/acceptor surface interfacial properties and surface morphology are very powerful tools for understanding the alteration of system efficiencies.…”

Immobilized Polythiophene-fullerene on Surfaces: Beyond Photovoltaics

“…33,34 since photocatalysis involves the generation of charges in presence of sunlight but not the transportation of charges only a few localized factors like morphology or concentration ratios can play more important role to improve efficacy compared to photovoltaic devices (ESI table S7). Although research efforts were undertaken to improve the efficacy of the polymeric solar cell devices [35][36][37][38] and/or finding, a correlation with composition, morphology and mobility of electrons/holes 4,14,39 to the best of our knowledge, this is the first attempt to study in detail the efficacy of P3HT-PCBM based reusable photocatalytic device in the form of a chip. The study of donor/acceptor surface interfacial properties and surface morphology are very powerful tools for understanding the alteration of system efficiencies.…”

Diketopyrrolopyrrole (DPP)-based polytriazoles: Synthesis and Immobilization by click reaction†

“…This results reveal that, the theoretical bandgap values have provide good agreement with experimental values. Further, it was observed from computational models that both HOMO and LUMO were located in the diketopyrrolopyrrole (DPP) moiety and it can be facilitate the intermolecular charge transfer transition between DPP and quionol units of click polymer 41,42 . S6).…”