Modelling of the charge carrier mobility in disordered linear polymer materials

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F17%3A00472995" target="_blank" >RIV/61389013:_____/17:00472995 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/C6CP07789G" target="_blank" >http://dx.doi.org/10.1039/C6CP07789G</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/C6CP07789G" target="_blank" >10.1039/C6CP07789G</a>

Result language
angličtina
Original language name
Modelling of the charge carrier mobility in disordered linear polymer materials
Original language description
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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/GA15-05095S" target="_blank" >GA15-05095S: Study of electronic processes in molecular systems for organic photonics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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