Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovoltaic Applications
| Autor: | L��vesque, Simon, Trevisanutto, Paolo E., Laprade, Jean Fr��d��ric, Cote, Michel |
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| Jazyk: | angličtina |
| Rok vydání: | 2009 |
| Předmět: | |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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