Impact of ring torsion on the intrachain mobility in conjugated polymers
2007 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 75, no 10, 104304- p.Article in journal (Refereed) Published
Wehave developed a fully three-dimensional model based on the solutionof the time-dependent Schrödinger equation for studies of polaron mobilityin twisted polymer chains. Variations in ring torsion angles alonga conjugated polymer chain are shown to have a strongeffect on the intrachain charge carrier mobility. An increase inring torsion between two neighboring monomers can cause electron localizationand then result in a transition of the type oftransport from adiabatic polaron drift to nonadiabatic polaron hopping. Inparticular, we show the sensitivity for such a transition inthe case of random variations in the ring torsion anglesalong a poly(phenylene vinylene) chain. The effective energy barrier associatedwith the change in torsion angle also depends on theapplied electric-field strength, and by increasing the field strength atransition back to adiabatic transport can be obtained.
Place, publisher, year, edition, pages
2007. Vol. 75, no 10, 104304- p.
electron-lattice dynamics, carrier mobility, localised states, polarons, hopping conduction
IdentifiersURN: urn:nbn:se:liu:diva-16943DOI: 10.1103/PhysRevB.75.104304OAI: oai:DiVA.org:liu-16943DiVA: diva2:174888
ProjectsCenter of Organic Electronics (COE)
Original Publication: 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. http://dx.doi.org/10.1103/PhysRevB.75.104304 Copyright: American Physical Society http://www.aps.org/2009-02-252009-02-252016-01-07Bibliographically approved