Impact of ring torsion on the intrachain mobility in conjugated polymers
2008 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, Vol. 75, no 10, 104304- p.Article in journal (Refereed) Published
We have developed a fully three-dimensional model based on the solution of the time-dependent Schrödinger equation for studies of polaron mobility in twisted polymer chains. Variations in ring torsion angles along a conjugated polymer chain are shown to have a strong effect on the intrachain charge carrier mobility. An increase in ring torsion between two neighboring monomers can cause electron localization and then result in a transition of the type of transport from adiabatic polaron drift to nonadiabatic polaron hopping. In particular, we show the sensitivity for such a transition in the case of random variations in the ring torsion angles along a poly(phenylene vinylene) chain. The effective energy barrier associated with the change in torsion angle also depends on the applied electric-field strength, and by increasing the field strength a transition back to adiabatic transport can be obtained.
Place, publisher, year, edition, pages
2008. Vol. 75, no 10, 104304- p.
electron-lattice dynamics, carrier mobility, localised states, polarons, hopping conduction
National CategoryNatural Sciences
IdentifiersURN: urn:nbn:se:liu:diva-16943DOI: 10.1103/PhysRevB.75.104304OAI: oai:DiVA.org:liu-16943DiVA: diva2:174888
ProjectsCenter of Organic Electronics (COE)
Magnus Hultell and Sven Stafström, Impact of ring torsion on the intrachain mobility in conjugated polymers, 2008, Physical Review B. Condensed Matter and Materials Physics, (75), 10, 104304.
Copyright: American Physical Society