MetaCentrum Yearbook 2009

0349359 - ÚMCH 2011 RIV CZ eng M - Monography Chapter
Toman, Petr
Inter-chain charge carrier mobility in conjugated polymers doped with polar additives.
MetaCentrum Yearbook 2009. Prague: CESNET, 2010 - (Křenková, I.; Antoš, D.; Matyska, L.), s. 137-143. ISBN 978-80-904173-7-3
R&D Projects: GA ČR GA203/06/0285; GA AV ČR IAA401770601; GA MŠMT MEB050815
Institutional research plan: CEZ:AV0Z40500505
Keywords : charge carrier mobility * switching * Marcus theory
Subject RIV: CF - Physical ; Theoretical Chemistry
https://www.metacentrum.cz/export/sites/metacentrum/cs/about/results/yearbooks/MetaCentrum_Yearbook9_web.pdf

Charge carrier mobility in polymers doped by photochromic additives is studied using a combined quantum mechanical / quasi-classical model. The energy spectrum of the polymer on-chain charge carrier states is determined by means of the solution of the Schrödinger equation with a tight-binding Hamiltonian. Subsequently, the inter-chain charge carrier hopping is modeled using quasi-classical Marcus approach, taking into account the charge carrier thermalization. The proposed model predicts a strong dependence of the charge carrier mobility on the local energetic disorder, which can be influenced by polar photochromic additives. Doubling of the local energetic disorder during the photochromic reaction of the additive causes the decrease of the inter-chain charge carrier mobility by up to several orders of magnitude. These results confirm the possibility to construct an efficient optoelectrical switch based on a polymer doped with a photochromic polar additive.
Permanent Link: http://hdl.handle.net/11104/0189621