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MetaCentrum Yearbook 2009

SYSNO ASEP	0349359
Document Type	M - Monograph Chapter
R&D Document Type	Monograph Chapter
Title	Inter-chain charge carrier mobility in conjugated polymers doped with polar additives
Author(s)	Toman, Petr (UMCH-V)_{RID, ORCID}
Source Title	MetaCentrum Yearbook 2009. - Prague : CESNET, 2010 / Křenková I. ; Antoš D. ; Matyska L. - ISBN 978-80-904173-7-3
Pages	s. 137-143
Number of pages	7 s.
Number of copy	200
Number of pages	172
Language	eng - English
Country	CZ - Czech Republic
Keywords	charge carrier mobility ; switching ; Marcus theory
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA203/06/0285 GA ČR - Czech Science Foundation (CSF)
	IAA401770601 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	MEB050815 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z40500505 - UMCH-V (2005-2011)
Annotation	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.
Workplace	Institute of Macromolecular Chemistry
Contact	Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358
Year of Publishing	2011

Number of the records: 1