Electronic properties and optical spectra of donor-acceptor conjugated organic polymers.

ABSTRACT: Organic semiconductors based on conjugated donor-acceptor (D-A) polymers are a unique platform for electronic, spintronic, and energy-harvesting devices. Understanding the electronic structure of D-A polymers with a small band gap is essential for developing next-generation technologies. Here, we investigate the electronic structure and optical spectra of cyclopentadithiophene-based closed/open-shell D-A polymers using density functional theory and the Bethe-Salpeter equation based on G[Formula: see text]W[Formula: see text] approximation. We explored the role of different acceptor units and chemical substitutions on the structural changes and, more importantly, electronic, optical, and dielectric behavior. We found that the computed first exciton peak of the polymers agreed well with the

SUBMITTER: Sarap CS 

PROVIDER: S-EPMC10703904 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature