Donor-Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical-Structure Modifications on the Electronic and Optical PropertiesMacromolecules (2012)
AbstractWe systematically investigate at the density functional theory level how changes to the chemical structure of donor–acceptor copolymers used in a number of organic electronics applications influences the intrinsic geometric, electronic, and optical properties. We consider the combination of two distinct donors, where a central five-membered ring is fused on both sides by either a thiophene or a benzene ring, with 12 different acceptors linked to the donor either directly or through thienyl linkages. The interplay between the electron richness/deficiency of the subunits as well as the evolution of the frontier electronic levels of the isolated donors/acceptors plays a significant role in determining the electronic and optical properties of the copolymers.
- Donor-acceptor copolymers,
- Organic photovoltaics,
- Chemical-structure modifications
Citation InformationLaxman Pandey, Chad Risko, Joseph E. Norton and Jean-Luc Brédas. "Donor-Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical-Structure Modifications on the Electronic and Optical Properties" Macromolecules Vol. 45 Iss. 16 (2012)
Available at: http://works.bepress.com/laxman_pandey/3/