Issue 7, 2011
From the journal:

Physical Chemistry Chemical Physics

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

Hynek Němec,a   Irena Kratochvílová,*a   Petr Kužel,a   Jakub Šebera,bc   Anna Kochalska,b   Juraj Nožárb  and  Stanislav Nešpůrekb  

* Corresponding authors

a Institute of Physics AS CR, Na Slovance 2, 182 21 Prague 8, Czech Republic
E-mail: krat@fzu.cz
Fax: (+420) 286 890 527
Tel: (+420) 266 052 126

b Institute of Macromolecular Chemistry AS CR, Heyrovského nám. 2, 162 06 Prague 6, Czech Republic

c J. Heyrovský Institute of Physical Chemistry AS CR, Dolejškova 3, 182 23 Prague 8, Czech Republic

Abstract

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 time-resolved THz spectroscopy we established the on-chain charge carrier drift mobility in PMPSi as 0.02 cm2 V−1 s−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.

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

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Article information

DOI
https://doi.org/10.1039/C0CP00774A
Article type
Paper
Submitted
02 Jun 2010
Accepted
22 Oct 2010
First published
15 Dec 2010

Phys. Chem. Chem. Phys., 2011,13, 2850-2856

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

H. Němec, I. Kratochvílová, P. Kužel, J. Šebera, A. Kochalska, J. Nožár and S. Nešpůrek, Phys. Chem. Chem. Phys., 2011, 13, 2850 DOI: 10.1039/C0CP00774A

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