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Electric field dependence of charge mobility in linear conjugated polymers
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SYSNO ASEP 0490817 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Electric field dependence of charge mobility in linear conjugated polymers Tvůrce(i) Toman, Petr (UMCH-V) RID, ORCID
Menšík, Miroslav (UMCH-V) RID
Pfleger, Jiří (UMCH-V) RIDZdroj.dok. Chemical Papers. - : Springer - ISSN 0366-6352
Roč. 72, č. 7 (2018), s. 1719-1728Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. SK - Slovensko Klíč. slova charge carrier mobility ; electric field dependence ; conjugated polymer Vědní obor RIV CD - Makromolekulární chemie Obor OECD Polymer science CEP LO1507 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Institucionální podpora UMCH-V - RVO:61389013 UT WOS 000435829800015 EID SCOPUS 85048859613 DOI 10.1007/s11696-018-0448-0 Anotace A combined quantum mechanical and semi-classical approach was used for the description of the charge carrier transport, taking into account realistic microscopic lamellar structure present in many common conjugated polymers. Unlike previous theoretical models that consider a polymer as a 3D point lattice of single-state sites or model the polymer chain as a molecule with single charge state, our molecular-scale model takes into account the density of states of conjugated polymer chain segments determined using a quantum–mechanical tight-binding model. Because of the relatively fast charge carrier delocalization on the conjugated polymer chain segments, the short-distance on-chain motion is separated from the slower inter-chain hopping. Inter-chain hopping rates, described by means of the Marcus theory, are calculated self-consistently with the chain segment occupation. The present model describes the electric field dependence of the hole mobility in conjugated polymers and includes the influence of the transverse electric field, which is important for simulation of the gate-voltage dependences of the charge carrier transport in organic field effect transistors. Pracoviště Ústav makromolekulární chemie Kontakt Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Rok sběru 2019
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