title: Predictive study of charge transport in disordered semiconducting polymers.
abstract: We present a theoretical study of charge transport in disordered semiconducting polymers that relates the charge mobility to the chemical structure and the physical morphology in a novel multiscale approach. Our studies, focusing on poly(9,9-dioctylfluorene) (PFO), show that the charge mobility is dominated by pathways with the highest interchain charge-transfer rates. We also find that disorder is not always detrimental to charge transport. We find good agreement with experimental time-of-flight mobility data in highly aligned PFO films.
authors.affiliation: Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom.
authors.forename: Stavros
authors.initials: S
authors.lastname: Athanasopoulos
authors.forename: James
authors.initials: J
authors.lastname: Kirkpatrick
authors.forename: Diego
authors.initials: D
authors.lastname: Martínez
authors.forename: Jarvist M
authors.initials: JM
authors.lastname: Frost
authors.forename: Clare M
authors.initials: CM
authors.lastname: Foden
authors.forename: Alison B
authors.initials: AB
authors.lastname: Walker
authors.forename: Jenny
authors.initials: J
authors.lastname: Nelson
mesh_terms: D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D004579:Electron Transport; D046911:Macromolecular Substances / Q000737:chemistry; D008422:Materials Testing; D008956:Models, Chemical; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods*; D010316:Particle Size; D011108:Polymers / Q000737:chemistry*; D012666:Semiconductors; D055672:Static Electricity; D013499:Surface Properties
chemical_list: D046911:Macromolecular Substances; D011108:Polymers