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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Spano, Frank C.
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Topics
Publications (4/4 displayed)
- 2023Role of aggregates and microstructure of mixed-ionic-electronic-conductors on charge transport in electrochemical transistors.citations
- 2023Polaron absorption in aligned conjugated polymer films: breakdown of adiabatic treatments and going beyond the conventional mid-gap state model.citations
- 2019Anisotropic Polaron Delocalization in Conjugated Homopolymers and Donor-Acceptor Copolymerscitations
- 2017The Effects of Crystallinity on Charge Transport and the Structure of Sequentially Processed F<sub>4</sub>TCNQ‐Doped Conjugated Polymer Filmscitations
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article
Anisotropic Polaron Delocalization in Conjugated Homopolymers and Donor-Acceptor Copolymers
Abstract
<p>The shape of the mid-IR absorption spectrum provides valuable information about the "hole" polaron coherence length in doped and undoped conjugated polymer films. In poly(3-hexylthiophene) (P3HT) films, the spectrum generally consists of a narrow, low-energy peak A (700-1000 cm<sup>-1</sup>) followed by a much broader, higher-energy peak B (2500-5000 cm<sup>-1</sup>). By using a theory based on the Holstein Hamiltonian for mobile holes in P3HT, the IR line-shape is successfully reproduced for several recently measured spectra recorded in doped and undoped films, confirming the association of an enhanced peak ratio (A/B) with extended polaron coherence. Emphasis is placed on the origin of components polarized along the intra- and interchain directions and their dependence on the spatial distribution of disorder as well as the position of the dopant relative to the π-stack. The model is further adapted to treat donor-acceptor copolymers where the local HOMO energy varies periodically from donor unit to acceptor unit. The calculated line shape for a diketopyrrolopyrrole-based copolymer agrees well with the recently measured spectrum.</p>