Light-harvesting capabilities of low band gap donor-acceptor polymers

Svante Hedstrom, Patrik Henriksson, Ergang Wang, Mats R. Andersson, Petter Persson

    Research output: Contribution to journalArticlepeer-review

    23 Citations (Scopus)

    Abstract

    A series of nine donor-acceptor polymers, including three new and six polymers from previous work, have been investigated experimentally and theoretically. The investigation focuses on narrow band gaps and strong absorptions of the polymers, where experimentally determined first peak absorption energies range from 1.8 to 2.3 eV, and peak absorption coefficients vary between 19-67 L g-1 cm-1. An overall assessment of each polymer’s light-harvesting capability is made, and related to the chemical structure. Oligomer calculations using density functional theory are extrapolated to obtain size-converged polymer properties, and found to reproduce the experimental absorption trends well. Accurate theoretical predictions of absorption energies to within 0.06 eV of experiments, and absorption strength to within 12%, are obtained through the introduction of an empirical correction scheme. The computational and experimental results provide insight for the design of polymers with efficient absorption, concerning the intrinsic properties of the constituent units and the use of bulky side-groups.

    Original languageEnglish
    Pages (from-to)24853-24865
    Number of pages13
    JournalPhysical Chemistry Chemical Physics
    Volume16
    Issue number45
    DOIs
    Publication statusPublished - 22 Oct 2014

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