Charge carrier mobility in poly[methyl(phenyl)silylene] studied by time-resolved terahertz spectroscopy and molecular modeling

0355961 - FZÚ 2011 RIV GB eng J - Journal Article
Němec, Hynek - Kratochvílová, Irena - Kužel, Petr - Šebera, Jakub - Kochalska, Anna - Nožár, Juraj - Nešpůrek, Stanislav
Charge carrier mobility in poly[methyl(phenyl)silylene] studied by time-resolved terahertz spectroscopy and molecular modeling.
Physical Chemistry Chemical Physics. Roč. 13, č. 7 (2011), s. 2850-2856. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GP202/09/P099; GA ČR GA203/08/1594; GA AV ČR KAN401770651; GA MŠMT LC512; GA ČR(CZ) GAP304/10/1951
Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z40500505
Keywords : molecular electronics * THz spectroscopy * charge carrier mobility
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.573, year: 2011

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.
Permanent Link: http://hdl.handle.net/11104/0194606