Optical properties of one-dimensional graphene polymers: The case of polyphenanthrene

Abstract

We investigate from first principles the effect of many-body corrections on the optoelectronic properties of polyphenanthrene (PPh), a prototype system for carbon-based ladder polymers and 1D nanographenes with cis-polyene edges. We show that the inclusion of many-body effects is essential to correctly describe both quasiparticle bandstructure and optical response. Consistently with the reduced dimensionality of the system, the inclusion of electron-hole interaction leads to strongly bound excitons which dominate the spectra. A complete characterization of the low-energy excitonic states is carried out, together with their optical activity. In particular, we find a dark exciton below the first optically active one, which is expected to crucially affect the luminescence efficiency. © 2007 WILEY-VCH Verlag GmbH & Co. KGaA,.