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- W2740376594 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." @default.
- W2740376594 created "2017-08-08" @default.
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- W2740376594 date "2009-03-01" @default.
- W2740376594 modified "2023-09-23" @default.
- W2740376594 title "Ab initio Study of Diketo-Pyrrolo-Pyrrole Polymers for Photovoltaic Applications" @default.
- W2740376594 hasPublicationYear "2009" @default.
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