Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovoltaic Applications

2009/11/02 by Simon Lévesque, Paolo E. Trevisanutto, Lévesque, Simon +6
Materials Science · Physics and Astronomy · #Conducting polymers and applications #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.0911.0224

arxiv created 2009/11/02 · openalex publication_date 2009/11/02 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

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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