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arXiv · 0911.0224

Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovoltaic Applications

Simon Lévesque·Paolo E. Trevisanutto·Jean Frédéric Laprade·Michel Cote
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Abstract

Using density-functional theory with the hybrid functional B3LYP, we investigate the electronic properties of polymers with diketo-pyrrolo-pyrrole (DPP) unit. We note that some of the polymers studied have LUCO energy similar to the C70-PCBM, or even lower, making them promising candidates for electron transport in organic photovoltaic devices. The homopolymer of DPP is predicted to have a band gap around 1.2 eV and shows a good dispersion of the conduction band.

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Simon Lévesque, Paolo E. Trevisanutto, Jean Frédéric Laprade, Michel Cote. 2009-11-02. Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovoltaic Applications. https://arxiv.org/abs/0911.0224

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