Anisotropic Polaron Delocalization in Conjugated Homopolymers and Donor-Acceptor Copolymers
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
Abstract
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-1) followed by a much broader, higher-energy peak B (2500-5000 cm-1). 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.
Details
Original language | English |
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Pages (from-to) | 7033-7045 |
Number of pages | 13 |
Journal | Chemistry of materials |
Volume | 31 |
Issue number | 17 |
Publication status | Published - 10 Sept 2019 |
Peer-reviewed | Yes |
External IDs
ORCID | /0000-0002-8487-0972/work/142247520 |
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