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Modelling of the charge carrier mobility in disordered linear polymer materials
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SYSNO ASEP 0472995 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Modelling of the charge carrier mobility in disordered linear polymer materials Author(s) Toman, Petr (UMCH-V) RID, ORCID
Menšík, Miroslav (UMCH-V) RID
Bartkowiak, W. (PL)
Pfleger, Jiří (UMCH-V) RID, ORCIDSource Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 19, č. 11 (2017), s. 7760-7771Number of pages 12 s. Language eng - English Country GB - United Kingdom Keywords charge carrier mobility ; conjugated polymer ; charge transport modelling Subject RIV BM - Solid Matter Physics ; Magnetism OECD category Condensed matter physics (including formerly solid state physics, supercond.) R&D Projects GA15-05095S GA ČR - Czech Science Foundation (CSF) Institutional support UMCH-V - RVO:61389013 UT WOS 000397569900037 EID SCOPUS 85018526917 DOI https://doi.org/10.1039/C6CP07789G Annotation We introduced a molecular-scale description of disordered on-chain charge carrier states into a theoretical model of the charge carrier transport in polymer semiconductors. The presented model combines the quantum mechanical approach with a semi-classical solution of the inter-chain charge hopping. Our model takes into account the significant local anisotropy of the charge carrier mobility present in linear conjugated polymers. Contrary to the models based on the effective medium approximation, our approach allowed avoiding artefacts in the calculated concentration dependence of the mobility originated in its problematic configurational averaging. Monte Carlo numerical calculations show that, depending on the degree of the energetic and structural disorder, the charge carrier mobility increases significantly with increasing charge concentration due to trap filling. At high charge carrier concentrations, the effect of the energetic disorder disappears and the mobility decreases slightly due to the lower density of unoccupied states available for the hopping transport. It could explain the experimentally observed mobility degradation in organic field-effect transistors at high gate voltage. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2018
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