Influence of Regioregularity on the Optoelectronic Properties of Conjugated Diketopyrrolopyrrole Polymers Comprising Asymmetric Monomers
| Autor: | Harm van Eersel, Pieter J. Leenaers, René A. J. Janssen, Junyu Li, MM Martijn Wienk |
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| Přispěvatelé: | Macromolecular and Organic Chemistry, Molecular Materials and Nanosystems, ICMS Core, EIRES Chem. for Sustainable Energy Systems |
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Condensation polymer
Materials science Polymers and Plastics 02 engineering and technology Conjugated system 010402 general chemistry 01 natural sciences 7. Clean energy Article Polymer solar cell Inorganic Chemistry chemistry.chemical_compound Materials Chemistry Thiophene SDG 7 - Affordable and Clean Energy chemistry.chemical_classification business.industry Organic Chemistry Polymer Chromophore 021001 nanoscience & nanotechnology 0104 chemical sciences Monomer chemistry Polymerization Optoelectronics 0210 nano-technology business SDG 7 – Betaalbare en schone energie |
| Zdroj: | Macromolecules Macromolecules, 53, 7749-7758 Macromolecules, 53(18), 7749-7758. American Chemical Society |
| ISSN: | 0024-9297 |
| DOI: | 10.1021/acs.macromol.0c01655 |
| Popis: | Two asymmetric thiophene (T)/pyridine (Py) flanked diketopyrrolopyrrole (DPP) polymers with a regiorandom and regioregular conjugated backbone are synthesized via a Stille polycondensation to investigate the effect of regioregularity on their optoelectronic properties and photovoltaic performance in fullerene-based polymer solar cells. Surprisingly, both polymers possess very similar optical bandgap, energy levels, and photovoltaic performance. These findings, combined with a factor of 19 reactivity difference between the two end groups of the asymmetric DPP monomer, intuitively suggest the formation of regular chain segments in the random polymer. However, by modeling the random polymerization reaction with a kinetic Monte Carlo (KMC) simulation, evidence is obtained for exclusive formation of a fully random polymer structure. UV-vis-NIR absorption spectra of three extended DPP chromophores, containing the donor segments (T-T-T, Py-T-Py, and Py-T-T) present in the regiorandom polymer, confirm that regioregularity of the backbone has a negligible influence on the optical properties. |
| Databáze: | OpenAIRE |
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