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Charge carrier mobility in poly[methyl(phenyl)silylene] studied by time-resolved terahertz spectroscopy and molecular modeling
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SYSNO ASEP 0355961 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Charge carrier mobility in poly[methyl(phenyl)silylene] studied by time-resolved terahertz spectroscopy and molecular modeling Author(s) Němec, Hynek (FZU-D) RID, ORCID, SAI
Kratochvílová, Irena (FZU-D) RID, ORCID, SAI
Kužel, Petr (FZU-D) RID, ORCID, SAI
Šebera, Jakub (UMCH-V)
Kochalska, Anna (UMCH-V)
Nožár, Juraj (UMCH-V)
Nešpůrek, Stanislav (UMCH-V) RIDSource Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 13, č. 7 (2011), s. 2850-2856Number of pages 7 s. Language eng - English Country GB - United Kingdom Keywords molecular electronics ; THz spectroscopy ; charge carrier mobility Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GP202/09/P099 GA ČR - Czech Science Foundation (CSF) GA203/08/1594 GA ČR - Czech Science Foundation (CSF) KAN401770651 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GAP304/10/1951 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z10100520 - FZU-D (2005-2011) AV0Z40500505 - UMCH-V (2005-2011) UT WOS 000286890500048 DOI 10.1039/c0cp00774a Annotation Time-resolved terahertz spectroscopy and combination of quantum chemistry modeling and molecular dynamics simulations were used for the determination of charge carrier mobility in poly[methyl(phenyl)silylene]. Using the time-resolved THz spectroscopy we established the on-chain charge carrier drift mobility in PMPSi as 0.02 cm2V–1s–1. This value is low due to the formation of polarons: the hole is self-trapped in a potential formed by local chain distortion and the transient THz conductivity spectra show signatures of its oscillations within this potential well. This view is supported by the agreement between experimental and calculated values of the on-chain charge carrier mobility. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2011
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