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MetaCentrum Yearbook 2009
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SYSNO ASEP 0349359 Druh ASEP M - Kapitola v monografii Zařazení RIV C - Kapitola v knize Název Inter-chain charge carrier mobility in conjugated polymers doped with polar additives Tvůrce(i) Toman, Petr (UMCH-V) RID, ORCID Zdroj.dok. MetaCentrum Yearbook 2009. - Prague : CESNET, 2010 / Křenková I. ; Antoš D. ; Matyska L. - ISBN 978-80-904173-7-3 Rozsah stran s. 137-143 Poč.str. 7 s. Poč.výt. 200 Poč.str.knihy 172 Jazyk dok. eng - angličtina Země vyd. CZ - Česká republika Klíč. slova charge carrier mobility ; switching ; Marcus theory Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA203/06/0285 GA ČR - Grantová agentura ČR IAA401770601 GA AV ČR - Akademie věd MEB050815 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy CEZ AV0Z40500505 - UMCH-V (2005-2011) Anotace 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. Pracoviště Ústav makromolekulární chemie Kontakt Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Rok sběru 2011
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