Royal Society of Chemistry, Journal of Materials Chemistry C Materials for optical and electronic devices, 41(7), p. 12876-12885, 2019
DOI: 10.1039/c9tc03283e
Full text: Unavailable
Polarons play a role in charge transfer, thermo-electric and redox mechanisms. A detailed description of their multi-configurational wavefunction, structure and properties is provided for a conjugated ladder polymer, at the broken-symmetry DFT level.